A0A3Q0KNC3_SCHMA Loading...

Subfamily C14A unassigned peptidase (C14 family)

AlphaFold DB , UniProt , Accession A0A3Q0KNC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 756 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.4Very low64.4Low218 Ų218101 Ų101100%1.07451%0.512SS*.  099.90-82.8-176-176.300108.2N3M1-N3 PolarHBondContact O-N 3.07Å
2V50.9Low65.4Low95 Ų9598.3 Ų98.358%0.57650%0.499SS*.  trans-85.2107.1172.5178.80000106.5I4 S15 L31V2-I4 PolarHBondContact O-N 3.49Å; V2-I4 VanDerWaalsContact O-N 3.08Å; V2-S15 VanDerWaalsContact CG1-CB 3.44Å; V2-S15 WeakPolarHBondContact CG1-OG 3.35Å; V2-L31 HydrophobicContact CB-CD2 3.84Å; V2-L31 HydrophobicContact CG1-CD2 3.76Å
3N58.3Low66.8Low76 Ų7692.2 Ų92.241%0.40647%0.467SS..  trans-74.298.9-174.3-157.1-5.2000108.2M1 I5 Q6M1-N3 PolarHBondContact O-N 3.07Å; N3-I5 PolarHBondContact O-N 2.82Å; N3-I5 WeakPolarHBondContact OD1-CD1 3.46Å; N3-I5 WeakPolarHBondContact OD1-CG1 3.44Å; N3-Q6 HydrophobicContact CB-CG 4.4Å; N3-Q6 PolarHBondContact O-N 2.8Å
4I63.1Low68.2Low1 Ų185.9 Ų85.91%0.00544%0.435CS..THydrogen-bonded Turntrans-51.3-26.6177.6-71.1-175.2000111.6V2 Q6 T14 L31 N35 L46 L49V2-I4 PolarHBondContact O-N 3.49Å; V2-I4 VanDerWaalsContact O-N 3.08Å; I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 3.1Å; I4-T14 WeakPolarHBondContact O-CB 3.47Å; I4-T14 WeakPolarHBondContact O-CG2 3.32Å; I4-L31 HydrophobicContact CD1-CB 3.74Å; I4-L31 HydrophobicContact CD1-CD2 4.35Å; I4-L31 WeakPolarHBondContact CD1-O 3.41Å; I4-L31 HydrophobicContact CG1-CB 4.21Å; I4-L31 HydrophobicContact CG1-CD2 3.88Å; I4-N35 WeakPolarHBondContact CD1-ND2 3.31Å; I4-L46 HydrophobicContact CD1-CD1 4.31Å; I4-L49 HydrophobicContact CG2-CB 4.34Å; I4-L49 HydrophobicContact CG2-CD1 4.14Å
5I63.8Low69.4Low76 Ų7682.6 Ų82.639%0.3942%0.423SS..THydrogen-bonded Turntrans-65.5-30.7179.5-49.1176.5000112.2N3 R7 I41 L49N3-I5 PolarHBondContact O-N 2.82Å; N3-I5 WeakPolarHBondContact OD1-CD1 3.46Å; N3-I5 WeakPolarHBondContact OD1-CG1 3.44Å; I5-R7 PolarHBondContact O-N 2.89Å; I5-I41 HydrophobicContact CD1-CD1 3.61Å; I5-I41 HydrophobicContact CD1-CG1 3.88Å; I5-I41 HydrophobicContact CG1-CD1 3.53Å; I5-I41 HydrophobicContact CG1-CG1 4.33Å; I5-L49 HydrophobicContact CG1-CD1 4.17Å
6Q69.3Low70.7Confident140 Ų14077.5 Ų77.565%0.65440%0.397SS*.PPolyproline II helixtrans-68.7119.8-178.9-87.5-177.8-21.200110.2N3 I4N3-Q6 HydrophobicContact CB-CG 4.4Å; N3-Q6 PolarHBondContact O-N 2.8Å; I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 3.1Å
7R75.1Confident71.8Confident130 Ų13072.9 Ų72.949%0.49137%0.373SS..BIsolated β-bridgetrans-103.5136.8178.7-73.8177-97.7-170.4-2.9109.1I5 P9 W13 T14 M52I5-R7 PolarHBondContact O-N 2.89Å; R7-P9 WeakPolarHBondContact O-CD 3.46Å; R7-W13 CarbonylContact C-O 3.6Å; R7-W13 WeakPolarHBondContact CA-O 3.49Å; R7-T14 HydrophobicContact CG-CG2 3.95Å; R7-M52 HydrophobicContact CG-CE 4.21Å
8N75.1Confident72.7Confident63 Ų6373.6 Ų73.634%0.33738%0.377SS..PPolyproline II helixtrans-65.4122.7165.1176.9-24.5000108.1Q10 N11 N12 W13N8-Q10 PolarHBondContact O-N 2.9Å; N8-Q10 WeakPolarHBondContact OD1-CB 3.25Å; N8-Q10 PolarHBondContact OD1-N 3.08Å; N8-N11 VanDerWaalsContact CB-OD1 3.23Å; N8-N11 WeakPolarHBondContact CB-OD1 3.17Å; N8-N11 VanDerWaalsContact CG-OD1 3.3Å; N8-N11 PolarHBondContact O-N 3.21Å; N8-N12 VanDerWaalsContact O-CA 3.23Å; N8-N12 WeakPolarHBondContact O-CA 3.27Å; N8-N12 PolarHBondContact O-N 2.96Å; N8-W13 HydrophobicContact CB-CB 4.46Å; N8-W13 PolarHBondContact N-O 3.32Å
9P70.4Confident73.7Confident122 Ų12269.8 Ų69.879%0.79236%0.359SS*.THydrogen-bonded Turntrans-66.4-19.9-17525.4-33.5000113.9R7R7-P9 WeakPolarHBondContact O-CD 3.46Å
10Q70Confident74.7Confident169 Ų16966.4 Ų66.479%0.7934%0.341SS*.THydrogen-bonded Turntrans-81-35.1-178.4-66.4-179.3-28.100112.8N8N8-Q10 PolarHBondContact O-N 2.9Å; N8-Q10 WeakPolarHBondContact OD1-CB 3.25Å; N8-Q10 PolarHBondContact OD1-N 3.08Å
11N71.2Confident75.4Confident21 Ų2167.5 Ų67.511%0.11234%0.341CS..THydrogen-bonded Turntrans-132.83.3-17165.46.9000114.3N8 W13 A55 T57N8-N11 VanDerWaalsContact CB-OD1 3.23Å; N8-N11 WeakPolarHBondContact CB-OD1 3.17Å; N8-N11 VanDerWaalsContact CG-OD1 3.3Å; N8-N11 PolarHBondContact O-N 3.21Å; N11-W13 HydrophobicContact CB-CG 4.43Å; N11-W13 VanDerWaalsContact CG-CG 3.46Å; N11-W13 VanDerWaalsContact ND2-CD1 3.35Å; N11-W13 VanDerWaalsContact O-CD1 3.29Å; N11-W13 PolarHBondContact O-N 3.39Å; N11-W13 VanDerWaalsContact OD1-CB 3.23Å; N11-W13 WeakPolarHBondContact OD1-CB 2.88Å; N11-W13 VanDerWaalsContact OD1-CD1 3.29Å; N11-W13 PolarHBondContact OD1-N 2.81Å; N11-A55 PolarHBondContact O-N 2.98Å; N11-T57 HydrophobicContact CB-CG2 3.37Å
12N76.5Confident77.8Confident68 Ų6861.9 Ų61.936%0.36432%0.315SS..  trans59.117.3-173.9-83.5-23.2000115N8 T14 M52N8-N12 VanDerWaalsContact O-CA 3.23Å; N8-N12 WeakPolarHBondContact O-CA 3.27Å; N8-N12 PolarHBondContact O-N 2.96Å; N12-T14 PolarHBondContact O-N 3.5Å; N12-M52 WeakPolarHBondContact O-CE 3.41Å
13W83.1Confident79.8Confident20 Ų2057.8 Ų57.88%0.07629%0.292CS..  trans-68.8132.5178.5-74.932.1000110.6R7 N8 N11 H17 L18 Y21 T54 T60 L68R7-W13 CarbonylContact C-O 3.6Å; R7-W13 WeakPolarHBondContact CA-O 3.49Å; N8-W13 HydrophobicContact CB-CB 4.46Å; N8-W13 PolarHBondContact N-O 3.32Å; N11-W13 HydrophobicContact CB-CG 4.43Å; N11-W13 VanDerWaalsContact CG-CG 3.46Å; N11-W13 VanDerWaalsContact ND2-CD1 3.35Å; N11-W13 VanDerWaalsContact O-CD1 3.29Å; N11-W13 PolarHBondContact O-N 3.39Å; N11-W13 VanDerWaalsContact OD1-CB 3.23Å; N11-W13 WeakPolarHBondContact OD1-CB 2.88Å; N11-W13 VanDerWaalsContact OD1-CD1 3.29Å; N11-W13 PolarHBondContact OD1-N 2.81Å; W13-H17 HydrophobicContact CB-CB 4.23Å; W13-H17 HydrophobicContact CD2-CB 4.32Å; W13-H17 HydrophobicContact CE3-CB 4.44Å; W13-H17 HydrophobicContact CG-CB 4.24Å; W13-L18 HydrophobicContact CE3-CB 4.03Å; W13-L18 HydrophobicContact CE3-CD1 3.89Å; W13-L18 HydrophobicContact CZ3-CB 4.45Å; W13-L18 HydrophobicContact CZ3-CD1 3.73Å; W13-Y21 AromaticContact CH2-CD1 3.63Å; W13-Y21 HydrophobicContact CH2-CD1 3.63Å; W13-Y21 AromaticContact CH2-CD2 3.76Å; W13-Y21 HydrophobicContact CH2-CD2 3.76Å; W13-Y21 HydrophobicContact CH2-CE1 4.13Å; W13-Y21 HydrophobicContact CH2-CE2 4.24Å; W13-Y21 AromaticContact CH2-CG 3.41Å; W13-Y21 HydrophobicContact CH2-CG 3.41Å; W13-Y21 VanDerWaalsContact CH2-CG 3.41Å; W13-Y21 AromaticContact CZ3-CD1 3.76Å; W13-Y21 HydrophobicContact CZ3-CD1 3.76Å; W13-Y21 AromaticContact CZ3-CG 3.73Å; W13-Y21 HydrophobicContact CZ3-CG 3.73Å; W13-T54 HydrophobicContact CG-CG2 4.08Å; W13-T60 HydrophobicContact CH2-CG2 4.04Å; W13-T60 HydrophobicContact CZ2-CG2 3.88Å; W13-T60 WeakPolarHBondContact CZ2-OG1 3.4Å; W13-L68 HydrophobicContact CZ2-CD1 4.35Å; W13-L68 HydrophobicContact CZ2-CD2 4.32Å
14T86.2Confident81.5Confident3 Ų357.4 Ų57.42%0.01829%0.29CS..BIsolated β-bridgetrans-90.1167.3164.665.60000109.7I4 R7 N12 L16 H17 L18 M52I4-T14 WeakPolarHBondContact O-CB 3.47Å; I4-T14 WeakPolarHBondContact O-CG2 3.32Å; R7-T14 HydrophobicContact CG-CG2 3.95Å; N12-T14 PolarHBondContact O-N 3.5Å; T14-L16 PolarHBondContact O-N 2.72Å; T14-L16 VanDerWaalsContact O-N 3.16Å; T14-L16 PolarHBondContact OG1-N 3.46Å; T14-H17 PolarHBondContact N-ND1 2.85Å; T14-H17 WeakPolarHBondContact O-CB 3.18Å; T14-H17 PolarHBondContact O-N 2.93Å; T14-H17 PolarHBondContact OG1-N 3.22Å; T14-H17 PolarHBondContact OG1-ND1 3.07Å; T14-L18 PolarHBondContact O-N 2.69Å; T14-L18 VanDerWaalsContact O-N 3.11Å; T14-M52 HydrophobicContact CG2-CE 3.54Å
15S87Confident83Confident37 Ų3758 Ų5826%0.25930%0.295SS..Hα-helixtrans-57.2-28.2171.7-48.50000112.8V2 A19V2-S15 VanDerWaalsContact CG1-CB 3.44Å; V2-S15 WeakPolarHBondContact CG1-OG 3.35Å; S15-A19 VanDerWaalsContact O-CB 3.29Å; S15-A19 WeakPolarHBondContact O-CB 3.47Å; S15-A19 PolarHBondContact O-N 3.41Å
16L89.5Confident84.4Confident1 Ų159.5 Ų59.51%0.00531%0.308CS..Hα-helixtrans-67.8-45.5174.4-178.864.7000111.6T14 L18 A19 C20 V28 L31 L32 I50 A65 L81T14-L16 PolarHBondContact O-N 2.72Å; T14-L16 VanDerWaalsContact O-N 3.16Å; T14-L16 PolarHBondContact OG1-N 3.46Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.56Å; L16-A19 PolarHBondContact O-N 2.71Å; L16-C20 WeakPolarHBondContact O-CB 3.28Å; L16-C20 PolarHBondContact O-N 3.41Å; L16-C20 PolarHBondContact O-SG 2.65Å; L16-V28 HydrophobicContact CD1-CG1 4.06Å; L16-V28 HydrophobicContact CD1-CG2 4.4Å; L16-L31 HydrophobicContact CB-CD1 4.46Å; L16-L32 HydrophobicContact CD1-CD1 4.48Å; L16-L32 HydrophobicContact CD1-CD2 4.22Å; L16-L32 HydrophobicContact CD1-CG 4.24Å; L16-L32 HydrophobicContact CD2-CD2 4.02Å; L16-I50 HydrophobicContact CD2-CG1 3.95Å; L16-A65 HydrophobicContact CD2-CB 4.32Å; L16-A65 HydrophobicContact CG-CB 4.34Å; L16-L81 HydrophobicContact CD1-CD1 4.41Å
17H90.1Very high85.5Confident0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-58.8-46.6176.4-70.797.6000111.3W13 T14 C20 Y21 M52 T54 L68W13-H17 HydrophobicContact CB-CB 4.23Å; W13-H17 HydrophobicContact CD2-CB 4.32Å; W13-H17 HydrophobicContact CE3-CB 4.44Å; W13-H17 HydrophobicContact CG-CB 4.24Å; T14-H17 PolarHBondContact N-ND1 2.85Å; T14-H17 WeakPolarHBondContact O-CB 3.18Å; T14-H17 PolarHBondContact O-N 2.93Å; T14-H17 PolarHBondContact OG1-N 3.22Å; T14-H17 PolarHBondContact OG1-ND1 3.07Å; H17-C20 PolarHBondContact O-N 3.18Å; H17-Y21 WeakPolarHBondContact O-CB 3.3Å; H17-Y21 PolarHBondContact O-N 3.39Å; H17-M52 PolarHBondContact NE2-O 3.5Å; H17-M52 VanDerWaalsContact NE2-O 3.08Å; H17-T54 HydrophobicContact CB-CG2 4.12Å; H17-T54 WeakPolarHBondContact CD2-CG2 3.4Å; H17-L68 HydrophobicContact CB-CD1 3.65Å
18L88.1Confident86.3Confident84 Ų8450.3 Ų50.344%0.4427%0.272SS..Hα-helixtrans-63.1-44178.1-174.561.5000112.1W13 T14 L16 C20 Y21 L22W13-L18 HydrophobicContact CE3-CB 4.03Å; W13-L18 HydrophobicContact CE3-CD1 3.89Å; W13-L18 HydrophobicContact CZ3-CB 4.45Å; W13-L18 HydrophobicContact CZ3-CD1 3.73Å; T14-L18 PolarHBondContact O-N 2.69Å; T14-L18 VanDerWaalsContact O-N 3.11Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.56Å; L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 3.48Å; L18-Y21 PolarHBondContact O-N 3.43Å; L18-L22 HydrophobicContact CD1-CD1 3.93Å; L18-L22 HydrophobicContact CD1-CG 4.17Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.97Å
19A91.5Very high87.1Confident3 Ų351.8 Ų51.83%0.02528%0.275CS..Hα-helixtrans-63.8-38177.600000112.4S15 L16 G23 L24 I27 V28 L31S15-A19 VanDerWaalsContact O-CB 3.29Å; S15-A19 WeakPolarHBondContact O-CB 3.47Å; S15-A19 PolarHBondContact O-N 3.41Å; L16-A19 PolarHBondContact O-N 2.71Å; A19-G23 PolarHBondContact O-N 2.66Å; A19-L24 PolarHBondContact O-N 2.64Å; A19-I27 HydrophobicContact CB-CB 4.28Å; A19-I27 HydrophobicContact CB-CG2 3.72Å; A19-V28 HydrophobicContact CB-CG2 3.84Å; A19-L31 HydrophobicContact CB-CD1 4.11Å
20C93.1Very high87.9Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-66.6-47.2174.9-67.80000111.3L16 H17 L18 L22 G23 A65 L68 A69 S72L16-C20 WeakPolarHBondContact O-CB 3.28Å; L16-C20 PolarHBondContact O-N 3.41Å; L16-C20 PolarHBondContact O-SG 2.65Å; H17-C20 PolarHBondContact O-N 3.18Å; L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 3.48Å; C20-L22 VanDerWaalsContact C-N 3.32Å; C20-L22 PolarHBondContact O-N 3.25Å; C20-G23 PolarHBondContact O-N 2.61Å; C20-G23 VanDerWaalsContact O-N 3.12Å; C20-A65 WeakPolarHBondContact CB-O 3.44Å; C20-L68 HydrophobicContact CB-CB 4.17Å; C20-A69 HydrophobicContact CB-CB 4.05Å; C20-S72 WeakPolarHBondContact O-CB 3.39Å
21Y90.6Very high88.6Confident91 Ų9141.8 Ų41.836%0.35723%0.226SC..Hα-helixtrans-59.9-40.4178.6-179.6-105.9000112.7W13 H17 L18 G23 T60 L68 S72W13-Y21 AromaticContact CH2-CD1 3.63Å; W13-Y21 HydrophobicContact CH2-CD1 3.63Å; W13-Y21 AromaticContact CH2-CD2 3.76Å; W13-Y21 HydrophobicContact CH2-CD2 3.76Å; W13-Y21 HydrophobicContact CH2-CE1 4.13Å; W13-Y21 HydrophobicContact CH2-CE2 4.24Å; W13-Y21 AromaticContact CH2-CG 3.41Å; W13-Y21 HydrophobicContact CH2-CG 3.41Å; W13-Y21 VanDerWaalsContact CH2-CG 3.41Å; W13-Y21 AromaticContact CZ3-CD1 3.76Å; W13-Y21 HydrophobicContact CZ3-CD1 3.76Å; W13-Y21 AromaticContact CZ3-CG 3.73Å; W13-Y21 HydrophobicContact CZ3-CG 3.73Å; H17-Y21 WeakPolarHBondContact O-CB 3.3Å; H17-Y21 PolarHBondContact O-N 3.39Å; L18-Y21 PolarHBondContact O-N 3.43Å; Y21-G23 VanDerWaalsContact C-N 3.29Å; Y21-G23 PolarHBondContact O-N 3.43Å; Y21-T60 HydrophobicContact CE2-CG2 3.98Å; Y21-L68 HydrophobicContact CD2-CD2 4.13Å; Y21-S72 VanDerWaalsContact O-CB 3.26Å; Y21-S72 WeakPolarHBondContact O-CB 3.4Å
22L90.9Very high89.3Confident100 Ų10040.8 Ų40.852%0.52422%0.22SC..THydrogen-bonded Turntrans-81.2-3178.5-64.5176.3000113.9L18 C20 L24L18-L22 HydrophobicContact CD1-CD1 3.93Å; L18-L22 HydrophobicContact CD1-CG 4.17Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.97Å; C20-L22 VanDerWaalsContact C-N 3.32Å; C20-L22 PolarHBondContact O-N 3.25Å; L22-L24 HydrophobicContact CB-CD1 3.8Å; L22-L24 HydrophobicContact CB-CG 3.84Å; L22-L24 HydrophobicContact CD1-CD1 4.01Å
23G93Very high89.5Confident9 Ų940.9 Ų40.99%0.09322%0.221CC..THydrogen-bonded Turntrans67.736.5-179.700000114.1A19 C20 Y21 A25 N74 T77A19-G23 PolarHBondContact O-N 2.66Å; C20-G23 PolarHBondContact O-N 2.61Å; C20-G23 VanDerWaalsContact O-N 3.12Å; Y21-G23 VanDerWaalsContact C-N 3.29Å; Y21-G23 PolarHBondContact O-N 3.43Å; G23-A25 PolarHBondContact O-N 3.3Å; G23-N74 PolarHBondContact O-ND2 2.66Å; G23-T77 VanDerWaalsContact CA-OG1 3.29Å; G23-T77 WeakPolarHBondContact CA-OG1 3.23Å; G23-T77 PolarHBondContact O-OG1 2.93Å; G23-T77 VanDerWaalsContact O-OG1 3.09Å
24L95.1Very high88.4Confident68 Ų6843.8 Ų43.836%0.35624%0.243SC..  trans-99.876.8-174.7-59.7173.7000111.7A19 L22 T26 I27 V28A19-L24 PolarHBondContact O-N 2.64Å; L22-L24 HydrophobicContact CB-CD1 3.8Å; L22-L24 HydrophobicContact CB-CG 3.84Å; L22-L24 HydrophobicContact CD1-CD1 4.01Å; L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.31Å; L24-I27 HydrophobicContact CB-CB 4.09Å; L24-I27 HydrophobicContact CB-CD1 4.02Å; L24-I27 HydrophobicContact CB-CG1 4.34Å; L24-I27 HydrophobicContact CD1-CD1 3.74Å; L24-I27 HydrophobicContact CG-CD1 4.4Å; L24-I27 PolarHBondContact O-N 2.91Å; L24-I27 VanDerWaalsContact O-N 3.09Å; L24-V28 PolarHBondContact O-N 3.35Å
25A94Very high87Confident14 Ų1444.9 Ų44.912%0.11625%0.249CC..Hα-helixtrans-55.9-40.6-173.200000114.5G23 I27 V28 K29 E76 T77 Q80G23-A25 PolarHBondContact O-N 3.3Å; A25-I27 VanDerWaalsContact C-N 3.32Å; A25-I27 PolarHBondContact O-N 2.69Å; A25-V28 PolarHBondContact O-N 2.88Å; A25-K29 PolarHBondContact O-N 3.11Å; A25-E76 HydrophobicContact CB-CB 4.19Å; A25-E76 HydrophobicContact CB-CG 3.71Å; A25-T77 PolarHBondContact N-OG1 3Å; A25-Q80 HydrophobicContact CB-CB 4.44Å
26T93.4Very high85.5Confident107 Ų10746.6 Ų46.666%0.65626%0.258SS*.Hα-helixtrans-65.6-34.9179.2530000112.5L24 S30L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.31Å; T26-S30 WeakPolarHBondContact O-CB 3.3Å; T26-S30 PolarHBondContact O-N 3.16Å; T26-S30 PolarHBondContact O-OG 3.44Å
27I91.6Very high83.9Confident76 Ų7651 Ų5139%0.3929%0.289SS..Hα-helixtrans-73-43.1175.6-67.3173.3000109.7A19 L24 A25 K29 S30 L31A19-I27 HydrophobicContact CB-CB 4.28Å; A19-I27 HydrophobicContact CB-CG2 3.72Å; L24-I27 HydrophobicContact CB-CB 4.09Å; L24-I27 HydrophobicContact CB-CD1 4.02Å; L24-I27 HydrophobicContact CB-CG1 4.34Å; L24-I27 HydrophobicContact CD1-CD1 3.74Å; L24-I27 HydrophobicContact CG-CD1 4.4Å; L24-I27 PolarHBondContact O-N 2.91Å; L24-I27 VanDerWaalsContact O-N 3.09Å; A25-I27 VanDerWaalsContact C-N 3.32Å; A25-I27 PolarHBondContact O-N 2.69Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.84Å; I27-S30 PolarHBondContact O-N 2.96Å; I27-S30 VanDerWaalsContact O-N 3.17Å; I27-L31 HydrophobicContact CG2-CD1 3.8Å; I27-L31 HydrophobicContact CG2-CG 4.09Å; I27-L31 WeakPolarHBondContact O-CB 3.3Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 3.07Å
28V92Very high81.8Confident0 Ų055.7 Ų55.70%031%0.314CS..Hα-helixtrans-54.2-50.8173.8171.50000110.8L16 A19 L24 A25 S30 L31 L32 T77 L81L16-V28 HydrophobicContact CD1-CG1 4.06Å; L16-V28 HydrophobicContact CD1-CG2 4.4Å; A19-V28 HydrophobicContact CB-CG2 3.84Å; L24-V28 PolarHBondContact O-N 3.35Å; A25-V28 PolarHBondContact O-N 2.88Å; V28-S30 PolarHBondContact O-N 2.74Å; V28-L31 PolarHBondContact O-N 3.45Å; V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 2.7Å; V28-T77 HydrophobicContact CG2-CG2 4.02Å; V28-L81 HydrophobicContact CG1-CB 4.23Å; V28-L81 HydrophobicContact CG1-CD1 4.1Å
29K91.1Very high80.2Confident95 Ų9562 Ų6241%0.41334%0.338SS..Hα-helixtrans-57.2-46.3176.2-175.3175.2-174169.80112.5A25 I27 L32 N33 Q80A25-K29 PolarHBondContact O-N 3.11Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.84Å; K29-L32 PolarHBondContact O-N 3.27Å; K29-N33 WeakPolarHBondContact CG-ND2 3.28Å; K29-N33 VanDerWaalsContact O-CB 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.49Å; K29-N33 PolarHBondContact O-N 3.2Å; K29-Q80 HydrophobicContact CB-CG 3.84Å
30S87Confident78.5Confident68 Ų6869.1 Ų69.148%0.47637%0.369SS..Hα-helixtrans-64.7-42.4-178.7-60.40000111.6T26 I27 V28 C34T26-S30 WeakPolarHBondContact O-CB 3.3Å; T26-S30 PolarHBondContact O-N 3.16Å; T26-S30 PolarHBondContact O-OG 3.44Å; I27-S30 PolarHBondContact O-N 2.96Å; I27-S30 VanDerWaalsContact O-N 3.17Å; V28-S30 PolarHBondContact O-N 2.74Å; S30-C34 VanDerWaalsContact O-CB 3.32Å; S30-C34 WeakPolarHBondContact O-CB 3.46Å; S30-C34 PolarHBondContact O-N 3.28Å; S30-C34 VanDerWaalsContact O-N 3.08Å; S30-C34 PolarHBondContact O-SG 3.47Å
31L86.5Confident77.3Confident12 Ų1269.8 Ų69.86%0.06337%0.372CS..Hα-helixtrans-61-47.9176.7-73.8175.8000110.9V2 I4 L16 A19 I27 V28 N35V2-L31 HydrophobicContact CB-CD2 3.84Å; V2-L31 HydrophobicContact CG1-CD2 3.76Å; I4-L31 HydrophobicContact CD1-CB 3.74Å; I4-L31 HydrophobicContact CD1-CD2 4.35Å; I4-L31 WeakPolarHBondContact CD1-O 3.41Å; I4-L31 HydrophobicContact CG1-CB 4.21Å; I4-L31 HydrophobicContact CG1-CD2 3.88Å; L16-L31 HydrophobicContact CB-CD1 4.46Å; A19-L31 HydrophobicContact CB-CD1 4.11Å; I27-L31 HydrophobicContact CG2-CD1 3.8Å; I27-L31 HydrophobicContact CG2-CG 4.09Å; I27-L31 WeakPolarHBondContact O-CB 3.3Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 3.07Å; V28-L31 PolarHBondContact O-N 3.45Å; L31-N35 PolarHBondContact O-ND2 3.18Å
32L85.9Confident76.3Confident0 Ų073.8 Ų73.80%039%0.387CS..Hα-helixtrans-72.1-41.8-177.9-64.8177.8000112.7L16 V28 K29 N35 I50 L81 D84 V85 I88L16-L32 HydrophobicContact CD1-CD1 4.48Å; L16-L32 HydrophobicContact CD1-CD2 4.22Å; L16-L32 HydrophobicContact CD1-CG 4.24Å; L16-L32 HydrophobicContact CD2-CD2 4.02Å; V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 2.7Å; K29-L32 PolarHBondContact O-N 3.27Å; L32-N35 PolarHBondContact O-N 3.3Å; L32-I50 HydrophobicContact CD2-CD1 3.8Å; L32-I50 HydrophobicContact CD2-CG1 3.97Å; L32-L81 HydrophobicContact CD1-CD1 4.03Å; L32-D84 HydrophobicContact CB-CB 4.16Å; L32-D84 HydrophobicContact CD1-CB 3.56Å; L32-V85 HydrophobicContact CD1-CG2 4.4Å; L32-I88 HydrophobicContact CB-CD1 4.11Å; L32-I88 HydrophobicContact CD2-CD1 4.05Å
33N79Confident75.6Confident70 Ų7069.9 Ų69.937%0.37437%0.366SS..Hα-helixtrans-68.5-34.7179.2-79-16.7000114.1K29 N35 T36 S37K29-N33 WeakPolarHBondContact CG-ND2 3.28Å; K29-N33 VanDerWaalsContact O-CB 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.49Å; K29-N33 PolarHBondContact O-N 3.2Å; N33-N35 PolarHBondContact O-N 3.11Å; N33-N35 VanDerWaalsContact O-N 3.09Å; N33-T36 PolarHBondContact O-N 3.06Å; N33-T36 PolarHBondContact O-OG1 2.76Å; N33-T36 VanDerWaalsContact O-OG1 3.1Å; N33-S37 PolarHBondContact O-OG 3Å
34C60.7Low74.6Confident81 Ų8171.6 Ų71.655%0.54737%0.373SS..THydrogen-bonded Turntrans-62.2-19.6-179.9-74.60000112.9S30S30-C34 VanDerWaalsContact O-CB 3.32Å; S30-C34 WeakPolarHBondContact O-CB 3.46Å; S30-C34 PolarHBondContact O-N 3.28Å; S30-C34 VanDerWaalsContact O-N 3.08Å; S30-C34 PolarHBondContact O-SG 3.47Å
35N57.2Low73.6Confident26 Ų2671.9 Ų71.914%0.13937%0.373CS..THydrogen-bonded Turntrans-103.8-8-174.4-66.8-56.8000114.7I4 L31 L32 N33 L46I4-N35 WeakPolarHBondContact CD1-ND2 3.31Å; L31-N35 PolarHBondContact O-ND2 3.18Å; L32-N35 PolarHBondContact O-N 3.3Å; N33-N35 PolarHBondContact O-N 3.11Å; N33-N35 VanDerWaalsContact O-N 3.09Å; N35-L46 HydrophobicContact CB-CD1 3.91Å; N35-L46 HydrophobicContact CB-CD2 3.67Å; N35-L46 HydrophobicContact CB-CG 4.35Å
36T55.5Low73Confident73 Ų7371.2 Ų71.245%0.44837%0.367SS..THydrogen-bonded Turntrans-86.7-19.8171.7540000112.6N33 I88N33-T36 PolarHBondContact O-N 3.06Å; N33-T36 PolarHBondContact O-OG1 2.76Å; N33-T36 VanDerWaalsContact O-OG1 3.1Å; T36-I88 HydrophobicContact CG2-CD1 4.48Å; T36-I88 HydrophobicContact CG2-CG1 3.91Å
37S55.2Low72.5Confident94 Ų9466.7 Ų66.766%0.65734%0.338SS*.SBendtrans-100.2-10-169.3-46.80000114.3N33N33-S37 PolarHBondContact O-OG 3Å
38N46.9Very low72Confident98 Ų9869.2 Ų69.252%0.52435%0.348SS..SBendtrans-135.3144.1-171.6-87.9-40.4000113.4F40N38-F40 HydrophobicContact CB-CD2 3.75Å; N38-F40 HydrophobicContact CB-CE2 4.25Å; N38-F40 PolarHBondContact O-N 2.9Å
39K53.2Low71.4Confident218 Ų21870.1 Ų70.195%0.94835%0.353SS*.THydrogen-bonded Turntrans-57.18.7179-78.5179.7174.6176.50116.7
40F57.1Low71.2Confident152 Ų15265.7 Ų65.767%0.66733%0.334SS*.THydrogen-bonded Turntrans-87.3-35.4-168.1-71.3-70.4000114.9N38N38-F40 HydrophobicContact CB-CD2 3.75Å; N38-F40 HydrophobicContact CB-CE2 4.25Å; N38-F40 PolarHBondContact O-N 2.9Å
41I66.9Low71.1Confident13 Ų1363.6 Ų63.67%0.06732%0.319CS..SBendtrans-129127.3178.6-58.1179.9000107I5 E45 L46I5-I41 HydrophobicContact CD1-CD1 3.61Å; I5-I41 HydrophobicContact CD1-CG1 3.88Å; I5-I41 HydrophobicContact CG1-CD1 3.53Å; I5-I41 HydrophobicContact CG1-CG1 4.33Å; I41-E45 HydrophobicContact CG2-CB 3.72Å; I41-L46 HydrophobicContact CG2-CB 4.09Å
42R70.7Confident70.9Confident175 Ų17564.5 Ų64.566%0.6632%0.323SS*.  trans-67.4144.6175.5-64.3-179.9-168153.74108.8N44 E45 L46R42-N44 WeakPolarHBondContact CB-OD1 3.44Å; R42-N44 PolarHBondContact O-N 3.22Å; R42-E45 HydrophobicContact CB-CG 4.4Å; R42-E45 PolarHBondContact N-OE2 3.06Å; R42-E45 IonicContact NH1-OE1 3.99Å; R42-E45 WeakPolarHBondContact O-CB 3.4Å; R42-E45 PolarHBondContact O-N 2.85Å; R42-L46 PolarHBondContact O-N 3.33Å
43I74.9Confident70.7Confident19 Ų1968.2 Ų68.210%0.09734%0.34CS..Hα-helixtrans-58.6-29.2-174-156.9164000112.9L46 Y47 I88 C91 Y92I43-L46 PolarHBondContact O-N 2.68Å; I43-Y47 WeakPolarHBondContact O-CB 3.38Å; I43-Y47 PolarHBondContact O-N 3.25Å; I43-I88 HydrophobicContact CG1-CG2 4.14Å; I43-C91 HydrophobicContact CD1-CB 3.36Å; I43-Y92 HydrophobicContact CG2-CD2 3.52Å; I43-Y92 HydrophobicContact CG2-CE2 4.36Å; I43-Y92 HydrophobicContact CG2-CG 3.82Å
44N72.3Confident70.7Confident44 Ų4465 Ų6524%0.23532%0.323CS..Hα-helixtrans-65.8-43.217467.4-35.3000112.6R42 Y47 Q48 Y92R42-N44 WeakPolarHBondContact CB-OD1 3.44Å; R42-N44 PolarHBondContact O-N 3.22Å; N44-Y47 PolarHBondContact O-N 3.15Å; N44-Q48 WeakPolarHBondContact O-CG 3.44Å; N44-Q48 PolarHBondContact O-N 2.95Å; N44-Y92 HydrophobicContact CB-CD2 4.29Å; N44-Y92 HydrophobicContact CB-CE1 3.84Å; N44-Y92 HydrophobicContact CB-CE2 3.47Å; N44-Y92 VanDerWaalsContact CB-CE2 3.47Å; N44-Y92 WeakPolarHBondContact CB-OH 3.4Å
45E74.4Confident70.9Confident74 Ų7462.8 Ų62.835%0.34631%0.311SS..Hα-helixtrans-66.6-39.4176.9-69.5165.2-171.300110.6I41 R42 Q48 L49I41-E45 HydrophobicContact CG2-CB 3.72Å; R42-E45 HydrophobicContact CB-CG 4.4Å; R42-E45 PolarHBondContact N-OE2 3.06Å; R42-E45 IonicContact NH1-OE1 3.99Å; R42-E45 WeakPolarHBondContact O-CB 3.4Å; R42-E45 PolarHBondContact O-N 2.85Å; E45-Q48 PolarHBondContact O-N 3.41Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.15Å
46L81.3Confident71.1Confident0 Ų066.1 Ų66.10%033%0.326CS..Hα-helixtrans-61.4-46.5173.5179.763.4000111.3I4 N35 I41 R42 I43 Q48 L49 I50 I88I4-L46 HydrophobicContact CD1-CD1 4.31Å; N35-L46 HydrophobicContact CB-CD1 3.91Å; N35-L46 HydrophobicContact CB-CD2 3.67Å; N35-L46 HydrophobicContact CB-CG 4.35Å; I41-L46 HydrophobicContact CG2-CB 4.09Å; R42-L46 PolarHBondContact O-N 3.33Å; I43-L46 PolarHBondContact O-N 2.68Å; L46-Q48 VanDerWaalsContact C-N 3.35Å; L46-Q48 PolarHBondContact O-N 2.95Å; L46-L49 PolarHBondContact O-N 3.36Å; L46-I50 HydrophobicContact CD1-CD1 4.41Å; L46-I50 HydrophobicContact CG-CD1 4.03Å; L46-I50 WeakPolarHBondContact O-CG1 3.02Å; L46-I50 PolarHBondContact O-N 3.08Å; L46-I88 HydrophobicContact CD2-CD1 3.97Å; L46-I88 HydrophobicContact CD2-CG1 4.46Å; L46-I88 HydrophobicContact CD2-CG2 4.34Å
47Y82.6Confident71.1Confident12 Ų1264.2 Ų64.25%0.04731%0.314CS..Hα-helixtrans-62.3-41.2178.2-175.5-94.5000112.3I43 N44 L49 I50 C51 S89 Y92 L113I43-Y47 WeakPolarHBondContact O-CB 3.38Å; I43-Y47 PolarHBondContact O-N 3.25Å; N44-Y47 PolarHBondContact O-N 3.15Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 3.41Å; Y47-I50 WeakPolarHBondContact O-CB 3.42Å; Y47-I50 PolarHBondContact O-N 3.12Å; Y47-C51 WeakPolarHBondContact CE1-SG 3.47Å; Y47-C51 PolarHBondContact O-N 3.29Å; Y47-C51 PolarHBondContact O-SG 3.32Å; Y47-C51 VanDerWaalsContact O-SG 3.34Å; Y47-S89 WeakPolarHBondContact CE2-OG 3.47Å; Y47-Y92 HydrophobicContact CD1-CD1 4.24Å; Y47-Y92 HydrophobicContact CD1-CE1 4.2Å; Y47-Y92 AromaticContact CG-CD1 3.97Å; Y47-Y92 HydrophobicContact CG-CD1 3.97Å; Y47-Y92 HydrophobicContact CG-CE1 4.34Å; Y47-L113 HydrophobicContact CD1-CD2 4.39Å; Y47-L113 HydrophobicContact CE1-CB 4.36Å; Y47-L113 HydrophobicContact CE1-CD2 3.75Å; Y47-L113 HydrophobicContact CE1-CG 4.48Å; Y47-L113 HydrophobicContact CE2-CB 4Å; Y47-L113 PolarHBondContact OH-O 2.91Å
48Q80.5Confident70.6Confident129 Ų12970.1 Ų70.160%0.60333%0.331SS*.Hα-helixtrans-61.1-39.9173.7-75177.5-14.700112.4N44 E45 L46 I50 C51 M52N44-Q48 WeakPolarHBondContact O-CG 3.44Å; N44-Q48 PolarHBondContact O-N 2.95Å; E45-Q48 PolarHBondContact O-N 3.41Å; L46-Q48 VanDerWaalsContact C-N 3.35Å; L46-Q48 PolarHBondContact O-N 2.95Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; Q48-C51 PolarHBondContact O-N 2.83Å; Q48-M52 PolarHBondContact O-N 3.19Å
49L80.7Confident70.5Confident20 Ų2070.1 Ų70.111%0.10534%0.339CS..Hα-helixtrans-67.3-34.3176.3-72.3167.5000112.7I4 I5 E45 L46 Y47 M52I4-L49 HydrophobicContact CG2-CB 4.34Å; I4-L49 HydrophobicContact CG2-CD1 4.14Å; I5-L49 HydrophobicContact CG1-CD1 4.17Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.15Å; L46-L49 PolarHBondContact O-N 3.36Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 3.41Å; L49-M52 WeakPolarHBondContact O-CB 3.37Å; L49-M52 PolarHBondContact O-N 3.48Å
50I85.8Confident70.5Confident1 Ų160.5 Ų60.51%0.00530%0.299CS..Hα-helixtrans-66.2-40.2175-70.2162.7000111L16 L32 L46 Y47 Q48 M52 V85 I88 F117L16-I50 HydrophobicContact CD2-CG1 3.95Å; L32-I50 HydrophobicContact CD2-CD1 3.8Å; L32-I50 HydrophobicContact CD2-CG1 3.97Å; L46-I50 HydrophobicContact CD1-CD1 4.41Å; L46-I50 HydrophobicContact CG-CD1 4.03Å; L46-I50 WeakPolarHBondContact O-CG1 3.02Å; L46-I50 PolarHBondContact O-N 3.08Å; Y47-I50 WeakPolarHBondContact O-CB 3.42Å; Y47-I50 PolarHBondContact O-N 3.12Å; Q48-I50 VanDerWaalsContact C-N 3.35Å; I50-M52 VanDerWaalsContact C-N 3.28Å; I50-M52 PolarHBondContact O-N 3Å; I50-V85 HydrophobicContact CD1-CG2 4.35Å; I50-V85 HydrophobicContact CG2-CG1 4.07Å; I50-V85 HydrophobicContact CG2-CG2 3.69Å; I50-I88 HydrophobicContact CD1-CD1 3.86Å; I50-I88 HydrophobicContact CD1-CG2 4.27Å; I50-F117 HydrophobicContact CG2-CD2 3.86Å; I50-F117 HydrophobicContact CG2-CE2 3.52Å; I50-F117 HydrophobicContact CG2-CZ 4.17Å
51C85.1Confident70.6Confident24 Ų2455.4 Ų55.416%0.16228%0.282CS..SBendtrans-81.6-3.6-178.6-63.70000114Y47 Q48 L120Y47-C51 WeakPolarHBondContact CE1-SG 3.47Å; Y47-C51 PolarHBondContact O-N 3.29Å; Y47-C51 PolarHBondContact O-SG 3.32Å; Y47-C51 VanDerWaalsContact O-SG 3.34Å; Q48-C51 PolarHBondContact O-N 2.83Å; C51-L120 HydrophobicContact CB-CD1 3.76Å
52M83.2Confident70.7Confident32 Ų3257 Ų5716%0.15829%0.289CS..PPolyproline II helixtrans-64.8139.8-176.9-166.4178.168.400111R7 N12 T14 H17 Q48 L49 I50R7-M52 HydrophobicContact CG-CE 4.21Å; N12-M52 WeakPolarHBondContact O-CE 3.41Å; T14-M52 HydrophobicContact CG2-CE 3.54Å; H17-M52 PolarHBondContact NE2-O 3.5Å; H17-M52 VanDerWaalsContact NE2-O 3.08Å; Q48-M52 PolarHBondContact O-N 3.19Å; L49-M52 WeakPolarHBondContact O-CB 3.37Å; L49-M52 PolarHBondContact O-N 3.48Å; I50-M52 VanDerWaalsContact C-N 3.28Å; I50-M52 PolarHBondContact O-N 3Å
53Q80.9Confident71.2Confident77 Ų7748.7 Ų48.736%0.3626%0.258SS..PPolyproline II helixtrans-90140.1169.7-69.9175.5-9.600109.9T64 T121Q53-T64 HydrophobicContact CG-CG2 3.92Å; Q53-T121 PolarHBondContact NE2-O 2.93Å
54T78.4Confident71.9Confident3 Ų347.9 Ų47.92%0.01825%0.254CS..PPolyproline II helixtrans-69.9163.3170.957.70000111.2W13 H17 Q62 G63 L68W13-T54 HydrophobicContact CG-CG2 4.08Å; H17-T54 HydrophobicContact CB-CG2 4.12Å; H17-T54 WeakPolarHBondContact CD2-CG2 3.4Å; T54-Q62 WeakPolarHBondContact O-CG 3.41Å; T54-G63 PolarHBondContact N-O 3.28Å; T54-G63 PolarHBondContact OG1-N 3.45Å; T54-G63 VanDerWaalsContact OG1-N 3.15Å; T54-G63 PolarHBondContact OG1-O 3.24Å; T54-G63 VanDerWaalsContact OG1-O 3.13Å; T54-L68 HydrophobicContact CG2-CD1 4.06Å
55A66.1Low72.9Confident35 Ų3545.8 Ų45.829%0.28924%0.242SC..PPolyproline II helixtrans-89.6151.2165.300000109.8N11N11-A55 PolarHBondContact O-N 2.98Å
56E60.9Low73.9Confident95 Ų9542.4 Ų42.444%0.44423%0.227SC..PPolyproline II helixtrans-68.7137.3179.9-176.6164.8-163.200111.8Q62 K123E56-Q62 HydrophobicContact CB-CB 4.5Å; E56-K123 IonicContact OE1-NZ 3.14Å; E56-K123 PolarHBondContact OE1-NZ 3.37Å; E56-K123 IonicContact OE2-NZ 2.66Å; E56-K123 PolarHBondContact OE2-NZ 2.98Å
57T56.6Low74.4Confident34 Ų3442.4 Ų42.421%0.20923%0.227CC..BIsolated β-bridgetrans-122.3160.6166.963.80000109.3N11 S59 T60N11-T57 HydrophobicContact CB-CG2 3.37Å; T57-S59 PolarHBondContact O-N 2.96Å; T57-S59 PolarHBondContact OG1-OG 2.94Å; T57-T60 PolarHBondContact O-N 2.85Å; T57-T60 VanDerWaalsContact O-N 3.17Å; T57-T60 PolarHBondContact OG1-N 3.4Å; T57-T60 PolarHBondContact OG1-OG1 2.95Å
58E43.7Very low74.9Confident217 Ų21741.9 Ų41.9100%1.01423%0.225SC*.THydrogen-bonded Turntrans-51.4-20176-64.9-179.5169.700114
59S44.1Very low75.6Confident99 Ų9935.8 Ų35.869%0.69220%0.196SC*.THydrogen-bonded Turntrans-111.7-12.7-174.255.80000115.6T57T57-S59 PolarHBondContact O-N 2.96Å; T57-S59 PolarHBondContact OG1-OG 2.94Å
60T54.4Low76.2Confident15 Ų1534.8 Ų34.89%0.09219%0.191CC..BIsolated β-bridgetrans-143.8131.9-172.9630000113.3W13 Y21 T57W13-T60 HydrophobicContact CH2-CG2 4.04Å; W13-T60 HydrophobicContact CZ2-CG2 3.88Å; W13-T60 WeakPolarHBondContact CZ2-OG1 3.4Å; Y21-T60 HydrophobicContact CE2-CG2 3.98Å; T57-T60 PolarHBondContact O-N 2.85Å; T57-T60 VanDerWaalsContact O-N 3.17Å; T57-T60 PolarHBondContact OG1-N 3.4Å; T57-T60 PolarHBondContact OG1-OG1 2.95Å
61S58.1Low76.5Confident45 Ų4537.5 Ų37.532%0.31520%0.202SC..  trans-68132177.852.60000111.5G63 Y71S61-G63 PolarHBondContact O-N 2.77Å; S61-Y71 WeakPolarHBondContact OG-CE2 3.27Å
62Q70.6Confident76.8Confident48 Ų4837.9 Ų37.922%0.22421%0.205CC..  trans-50.9130.3173-159.7-168.5-19.800111.4T54 E56 D122 K123T54-Q62 WeakPolarHBondContact O-CG 3.41Å; E56-Q62 HydrophobicContact CB-CB 4.5Å; Q62-D122 WeakPolarHBondContact O-CB 3.26Å; Q62-K123 HydrophobicContact CB-CD 4.36Å; Q62-K123 HydrophobicContact CB-CG 4.39Å
63G81.1Confident77.3Confident0 Ų042.7 Ų42.70%023%0.225CC..  trans-174.1172.6178.900000113.9T54 S61T54-G63 PolarHBondContact N-O 3.28Å; T54-G63 PolarHBondContact OG1-N 3.45Å; T54-G63 VanDerWaalsContact OG1-N 3.15Å; T54-G63 PolarHBondContact OG1-O 3.24Å; T54-G63 VanDerWaalsContact OG1-O 3.13Å; S61-G63 PolarHBondContact O-N 2.77Å
64T89.9Confident78Confident1 Ų141.7 Ų41.71%0.00622%0.222CC..  trans-82.8170.6172.467.70000111.1Q53 L66 H67 L68 L120Q53-T64 HydrophobicContact CG-CG2 3.92Å; T64-L66 PolarHBondContact O-N 3.49Å; T64-L66 VanDerWaalsContact O-N 3.1Å; T64-L66 PolarHBondContact OG1-N 2.99Å; T64-H67 PolarHBondContact N-ND1 2.98Å; T64-H67 WeakPolarHBondContact O-CB 3.45Å; T64-H67 PolarHBondContact O-N 2.79Å; T64-H67 PolarHBondContact OG1-ND1 3.15Å; T64-L68 PolarHBondContact O-N 3.42Å; T64-L68 VanDerWaalsContact O-N 3.08Å; T64-L120 HydrophobicContact CG2-CB 3.7Å; T64-L120 HydrophobicContact CG2-CD1 3.74Å; T64-L120 HydrophobicContact CG2-CG 4.31Å
65A91.7Very high78.8Confident0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-48.8-37.1172.200000113.2L16 C20 L68 A69 L81L16-A65 HydrophobicContact CD2-CB 4.32Å; L16-A65 HydrophobicContact CG-CB 4.34Å; C20-A65 WeakPolarHBondContact CB-O 3.44Å; A65-L68 PolarHBondContact O-N 3.38Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.01Å; A65-L81 HydrophobicContact CB-CD2 4.15Å
66L95.1Very high80.3Confident3 Ų348 Ų482%0.01625%0.247CC..Hα-helixtrans-69.7-38.4178-170.461.5000112.7T64 A69 V70 V78 L81 L82 F117 A128T64-L66 PolarHBondContact O-N 3.49Å; T64-L66 VanDerWaalsContact O-N 3.1Å; T64-L66 PolarHBondContact OG1-N 2.99Å; L66-A69 PolarHBondContact O-N 3.09Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.12Å; L66-V78 HydrophobicContact CD1-CG1 4.32Å; L66-L81 HydrophobicContact CB-CD2 4.23Å; L66-L81 HydrophobicContact CD1-CD2 4.04Å; L66-L82 HydrophobicContact CD1-CD2 3.81Å; L66-L82 HydrophobicContact CD1-CG 4Å; L66-L82 HydrophobicContact CD2-CD2 4.04Å; L66-F117 HydrophobicContact CB-CE1 4.13Å; L66-F117 HydrophobicContact CB-CE2 4.48Å; L66-F117 HydrophobicContact CB-CZ 3.76Å; L66-F117 HydrophobicContact CD2-CE1 4.05Å; L66-F117 HydrophobicContact CG-CE1 4.47Å; L66-A128 HydrophobicContact CB-CB 4.15Å; L66-A128 HydrophobicContact CD2-CB 3.72Å; L66-A128 HydrophobicContact CG-CB 3.53Å
67H93.8Very high82Confident1 Ų143.5 Ų43.51%0.00523%0.225CC..Hα-helixtrans-62.6-47.1174.4-66.184.1000110.6T64 A69 V70 Y71 L120 D122 N126 T127 A128T64-H67 PolarHBondContact N-ND1 2.98Å; T64-H67 WeakPolarHBondContact O-CB 3.45Å; T64-H67 PolarHBondContact O-N 2.79Å; T64-H67 PolarHBondContact OG1-ND1 3.15Å; H67-A69 VanDerWaalsContact C-N 3.32Å; H67-A69 PolarHBondContact O-N 2.88Å; H67-V70 WeakPolarHBondContact O-CB 3.48Å; H67-V70 PolarHBondContact O-N 2.83Å; H67-V70 VanDerWaalsContact O-N 3.12Å; H67-Y71 HydrophobicContact CB-CE2 4.01Å; H67-Y71 WeakPolarHBondContact O-CD2 3.43Å; H67-Y71 PolarHBondContact O-N 3.46Å; H67-L120 PolarHBondContact CE1-O 3.18Å; H67-L120 VanDerWaalsContact CE1-O 3.23Å; H67-D122 PolarHBondContact NE2-N 2.75Å; H67-N126 PolarHBondContact NE2-O 3.2Å; H67-T127 VanDerWaalsContact NE2-C 3.32Å; H67-A128 PolarHBondContact NE2-N 2.84Å; H67-A128 VanDerWaalsContact NE2-N 3.15Å
68L91.8Very high83.9Confident1 Ų141.9 Ų41.91%0.00522%0.215CC..Hα-helixtrans-62.9-38.9178.2-60.8-179.8000112W13 H17 C20 Y21 T54 T64 A65 V70 Y71 S72W13-L68 HydrophobicContact CZ2-CD1 4.35Å; W13-L68 HydrophobicContact CZ2-CD2 4.32Å; H17-L68 HydrophobicContact CB-CD1 3.65Å; C20-L68 HydrophobicContact CB-CB 4.17Å; Y21-L68 HydrophobicContact CD2-CD2 4.13Å; T54-L68 HydrophobicContact CG2-CD1 4.06Å; T64-L68 PolarHBondContact O-N 3.42Å; T64-L68 VanDerWaalsContact O-N 3.08Å; A65-L68 PolarHBondContact O-N 3.38Å; L68-V70 VanDerWaalsContact C-N 3.33Å; L68-V70 PolarHBondContact O-N 2.79Å; L68-Y71 HydrophobicContact CD2-CD2 4.28Å; L68-Y71 PolarHBondContact O-N 3.01Å; L68-S72 PolarHBondContact O-N 3.1Å
69A94.7Very high86.4Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-62-40.5173.600000111.6C20 A65 L66 H67 S72 T77 V78 L81C20-A69 HydrophobicContact CB-CB 4.05Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.01Å; L66-A69 PolarHBondContact O-N 3.09Å; H67-A69 VanDerWaalsContact C-N 3.32Å; H67-A69 PolarHBondContact O-N 2.88Å; A69-S72 WeakPolarHBondContact O-CB 3.34Å; A69-S72 PolarHBondContact O-N 3.2Å; A69-S72 PolarHBondContact O-OG 2.7Å; A69-T77 HydrophobicContact CB-CG2 4.24Å; A69-V78 HydrophobicContact CB-CG2 3.91Å; A69-L81 HydrophobicContact CB-CD2 4Å
70V94.7Very high88.9Confident0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-63.9-44.8174.1170.10000111.4L66 H67 L68 S72 K73 V78 A128 C131 A132 L137 I140 I144L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.12Å; H67-V70 WeakPolarHBondContact O-CB 3.48Å; H67-V70 PolarHBondContact O-N 2.83Å; H67-V70 VanDerWaalsContact O-N 3.12Å; L68-V70 VanDerWaalsContact C-N 3.33Å; L68-V70 PolarHBondContact O-N 2.79Å; V70-S72 PolarHBondContact O-N 2.97Å; V70-K73 PolarHBondContact O-N 2.91Å; V70-V78 HydrophobicContact CG2-CG2 4.32Å; V70-A128 HydrophobicContact CG2-CB 4.05Å; V70-C131 HydrophobicContact CG1-CB 4.24Å; V70-A132 HydrophobicContact CG1-CB 3.76Å; V70-A132 HydrophobicContact CG2-CB 4.49Å; V70-L137 HydrophobicContact CG1-CD1 4.08Å; V70-I140 HydrophobicContact CG1-CG2 4.46Å; V70-I140 HydrophobicContact CG2-CG2 3.96Å; V70-I144 HydrophobicContact CG2-CD1 3.8Å
71Y90.9Very high90.8Very high58 Ų5829.9 Ų29.923%0.22715%0.149CC..Hα-helixtrans-63.6-27.7178.4-63-43000113.4S61 H67 L68 K73 C131S61-Y71 WeakPolarHBondContact OG-CE2 3.27Å; H67-Y71 HydrophobicContact CB-CE2 4.01Å; H67-Y71 WeakPolarHBondContact O-CD2 3.43Å; H67-Y71 PolarHBondContact O-N 3.46Å; L68-Y71 HydrophobicContact CD2-CD2 4.28Å; L68-Y71 PolarHBondContact O-N 3.01Å; Y71-K73 PolarHBondContact O-N 2.84Å; Y71-C131 HydrophobicContact CE1-CB 3.93Å; Y71-C131 PolarHBondContact OH-SG 2.86Å
72S92.3Very high92.6Very high32 Ų3227.7 Ų27.722%0.22413%0.134CC..THydrogen-bonded Turntrans-64.7-16.5172.781.90000113.5C20 Y21 L68 A69 V70 N74C20-S72 WeakPolarHBondContact O-CB 3.39Å; Y21-S72 VanDerWaalsContact O-CB 3.26Å; Y21-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.1Å; A69-S72 WeakPolarHBondContact O-CB 3.34Å; A69-S72 PolarHBondContact O-N 3.2Å; A69-S72 PolarHBondContact O-OG 2.7Å; V70-S72 PolarHBondContact O-N 2.97Å; S72-N74 PolarHBondContact O-N 3.11Å; S72-N74 WeakPolarHBondContact OG-CB 3.32Å; S72-N74 PolarHBondContact OG-N 2.8Å
73K93.6Very high93.7Very high133 Ų13329.4 Ų29.458%0.57814%0.142SC*.THydrogen-bonded Turntrans56.615.6-173.5-54.5-179.9-177.2179.90113.7V70 Y71 L137V70-K73 PolarHBondContact O-N 2.91Å; Y71-K73 PolarHBondContact O-N 2.84Å; K73-L137 HydrophobicContact CB-CD2 4.44Å; K73-L137 HydrophobicContact CD-CD2 4.16Å; K73-L137 HydrophobicContact CG-CD1 4.1Å; K73-L137 HydrophobicContact CG-CD2 4.03Å
74N95.6Very high94.3Very high55 Ų5529.7 Ų29.729%0.29414%0.144SC..  trans-94.2106.1178.4-169.3-37.9000110.8G23 S72 E76 T77 V78G23-N74 PolarHBondContact O-ND2 2.66Å; S72-N74 PolarHBondContact O-N 3.11Å; S72-N74 WeakPolarHBondContact OG-CB 3.32Å; S72-N74 PolarHBondContact OG-N 2.8Å; N74-E76 VanDerWaalsContact C-N 3.3Å; N74-E76 PolarHBondContact O-N 3.25Å; N74-E76 WeakPolarHBondContact OD1-CB 3.25Å; N74-E76 PolarHBondContact OD1-N 3.48Å; N74-T77 PolarHBondContact O-N 3.16Å; N74-T77 PolarHBondContact OD1-N 3.47Å; N74-V78 PolarHBondContact O-N 3.41Å; N74-V78 VanDerWaalsContact O-N 3.17Å
75I95.8Very high94.4Very high71 Ų7129.7 Ų29.736%0.36414%0.143SC..Hα-helixtrans-61-36179.8-174.4159.7000113.4T77 V78 N79 D139 I140I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 2.79Å; I75-V78 PolarHBondContact O-N 2.67Å; I75-N79 WeakPolarHBondContact O-CB 3.35Å; I75-N79 PolarHBondContact O-N 3.07Å; I75-D139 HydrophobicContact CD1-CB 3.51Å; I75-I140 HydrophobicContact CB-CG1 4.26Å
76E96.4Very high94.4Very high100 Ų10031.2 Ų31.247%0.46715%0.152SC..Hα-helixtrans-66.9-40.4-178.9-171.559.5-154.700110.1A25 N74 N79 Q80A25-E76 HydrophobicContact CB-CB 4.19Å; A25-E76 HydrophobicContact CB-CG 3.71Å; N74-E76 VanDerWaalsContact C-N 3.3Å; N74-E76 PolarHBondContact O-N 3.25Å; N74-E76 WeakPolarHBondContact OD1-CB 3.25Å; N74-E76 PolarHBondContact OD1-N 3.48Å; E76-N79 PolarHBondContact O-N 3.09Å; E76-Q80 WeakPolarHBondContact O-CB 3.49Å; E76-Q80 PolarHBondContact O-N 2.73Å
77T96.6Very high94Very high0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-63.6-44.2175.1-54.40000111.9G23 A25 V28 A69 N74 I75 L81G23-T77 VanDerWaalsContact CA-OG1 3.29Å; G23-T77 WeakPolarHBondContact CA-OG1 3.23Å; G23-T77 PolarHBondContact O-OG1 2.93Å; G23-T77 VanDerWaalsContact O-OG1 3.09Å; A25-T77 PolarHBondContact N-OG1 3Å; V28-T77 HydrophobicContact CG2-CG2 4.02Å; A69-T77 HydrophobicContact CB-CG2 4.24Å; N74-T77 PolarHBondContact O-N 3.16Å; N74-T77 PolarHBondContact OD1-N 3.47Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 2.79Å; T77-L81 VanDerWaalsContact O-CB 3.28Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 PolarHBondContact O-N 2.91Å
78V97.1Very high93.7Very high0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-62.5-47.3176.8174.90000111L66 A69 V70 N74 I75 L81 L82 I140 I144L66-V78 HydrophobicContact CD1-CG1 4.32Å; A69-V78 HydrophobicContact CB-CG2 3.91Å; V70-V78 HydrophobicContact CG2-CG2 4.32Å; N74-V78 PolarHBondContact O-N 3.41Å; N74-V78 VanDerWaalsContact O-N 3.17Å; I75-V78 PolarHBondContact O-N 2.67Å; V78-L81 PolarHBondContact O-N 3.33Å; V78-L82 HydrophobicContact CG1-CD1 3.86Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.08Å; V78-I140 HydrophobicContact CG1-CG2 4.36Å; V78-I140 HydrophobicContact CG2-CD1 4.49Å; V78-I140 HydrophobicContact CG2-CG2 4.28Å; V78-I144 HydrophobicContact CG1-CG1 4.04Å
79N96.6Very high93.5Very high55 Ų5535.1 Ų35.129%0.29417%0.172SC..Hα-helixtrans-63.9-45.9-179.6-175.740.5000111.8I75 E76 L81 L82 H83 T143 Y147I75-N79 WeakPolarHBondContact O-CB 3.35Å; I75-N79 PolarHBondContact O-N 3.07Å; E76-N79 PolarHBondContact O-N 3.09Å; N79-L81 PolarHBondContact O-N 3.4Å; N79-L82 PolarHBondContact O-N 3.29Å; N79-H83 VanDerWaalsContact O-CB 3.29Å; N79-H83 WeakPolarHBondContact O-CB 3.33Å; N79-H83 PolarHBondContact O-N 3.35Å; N79-T143 HydrophobicContact CB-CG2 4.04Å; N79-Y147 WeakPolarHBondContact OD1-CE2 3.36Å; N79-Y147 PolarHBondContact OD1-OH 3.14Å; N79-Y147 VanDerWaalsContact OD1-OH 3.06Å
80Q95.3Very high93.1Very high24 Ų2440.2 Ų40.211%0.11219%0.194CC..Hα-helixtrans-62.7-43178.7-172.763.364.800111.6A25 K29 E76 D84A25-Q80 HydrophobicContact CB-CB 4.44Å; K29-Q80 HydrophobicContact CB-CG 3.84Å; E76-Q80 WeakPolarHBondContact O-CB 3.49Å; E76-Q80 PolarHBondContact O-N 2.73Å; Q80-D84 PolarHBondContact NE2-OD1 2.88Å; Q80-D84 PolarHBondContact NE2-OD2 3.16Å; Q80-D84 WeakPolarHBondContact O-CB 3.45Å; Q80-D84 PolarHBondContact O-N 2.85Å
81L95.7Very high92.6Very high0 Ų043.1 Ų43.10%021%0.214CC..Hα-helixtrans-61.6-50.5176.3-178.965000111.3L16 V28 L32 A65 L66 A69 T77 V78 N79 H83 D84 V85 F117L16-L81 HydrophobicContact CD1-CD1 4.41Å; V28-L81 HydrophobicContact CG1-CB 4.23Å; V28-L81 HydrophobicContact CG1-CD1 4.1Å; L32-L81 HydrophobicContact CD1-CD1 4.03Å; A65-L81 HydrophobicContact CB-CD2 4.15Å; L66-L81 HydrophobicContact CB-CD2 4.23Å; L66-L81 HydrophobicContact CD1-CD2 4.04Å; A69-L81 HydrophobicContact CB-CD2 4Å; T77-L81 VanDerWaalsContact O-CB 3.28Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 PolarHBondContact O-N 2.91Å; V78-L81 PolarHBondContact O-N 3.33Å; N79-L81 PolarHBondContact O-N 3.4Å; L81-H83 VanDerWaalsContact C-N 3.35Å; L81-H83 PolarHBondContact O-N 3.39Å; L81-D84 PolarHBondContact O-N 2.81Å; L81-V85 HydrophobicContact CD1-CG2 3.89Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.37Å; L81-V85 PolarHBondContact O-N 2.85Å; L81-F117 HydrophobicContact CD2-CZ 4.28Å; L81-F117 HydrophobicContact CG-CZ 4.38Å
82L95.5Very high92Very high0 Ų042.8 Ų42.80%021%0.213CC..Hα-helixtrans-61.1-43.6-179.9-72.1170.3000111.9L66 V78 N79 D86 F114 F117 T143 I144 Y147L66-L82 HydrophobicContact CD1-CD2 3.81Å; L66-L82 HydrophobicContact CD1-CG 4Å; L66-L82 HydrophobicContact CD2-CD2 4.04Å; V78-L82 HydrophobicContact CG1-CD1 3.86Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.08Å; N79-L82 PolarHBondContact O-N 3.29Å; L82-D86 WeakPolarHBondContact O-CB 3.43Å; L82-D86 PolarHBondContact O-N 3.45Å; L82-F114 HydrophobicContact CB-CZ 4.49Å; L82-F114 HydrophobicContact CD2-CE2 4.37Å; L82-F114 HydrophobicContact CD2-CZ 4.01Å; L82-F114 WeakPolarHBondContact O-CE2 3.19Å; L82-F117 HydrophobicContact CD2-CE1 4.32Å; L82-T143 HydrophobicContact CD1-CG2 4.43Å; L82-I144 HydrophobicContact CD1-CG1 4.13Å; L82-Y147 HydrophobicContact CB-CD1 4.05Å; L82-Y147 HydrophobicContact CB-CD2 3.91Å; L82-Y147 HydrophobicContact CB-CE1 4.13Å; L82-Y147 HydrophobicContact CB-CE2 3.99Å; L82-Y147 HydrophobicContact CB-CG 3.95Å; L82-Y147 HydrophobicContact CD1-CD2 3.73Å; L82-Y147 HydrophobicContact CD1-CE2 4.3Å; L82-Y147 HydrophobicContact CD1-CG 4.14Å; L82-Y147 HydrophobicContact CG-CD2 4.44Å
83H94.2Very high91.4Very high83 Ų8342.7 Ų42.738%0.38421%0.209SC..Hα-helixtrans-59.3-51.1177.8178.5-89000112.3N79 L81 D86 L87 Y147N79-H83 VanDerWaalsContact O-CB 3.29Å; N79-H83 WeakPolarHBondContact O-CB 3.33Å; N79-H83 PolarHBondContact O-N 3.35Å; L81-H83 VanDerWaalsContact C-N 3.35Å; L81-H83 PolarHBondContact O-N 3.39Å; H83-D86 PolarHBondContact O-N 2.81Å; H83-L87 WeakPolarHBondContact CE1-CD1 3.31Å; H83-L87 PolarHBondContact O-N 2.97Å; H83-Y147 WeakPolarHBondContact CB-OH 3.45Å
84D92.4Very high90.8Very high7 Ų739.3 Ų39.34%0.03720%0.202CC..Hα-helixtrans-71.2-35.9-175.4-67.5-13.4000111.6L32 Q80 L81 L87 I88L32-D84 HydrophobicContact CB-CB 4.16Å; L32-D84 HydrophobicContact CD1-CB 3.56Å; Q80-D84 PolarHBondContact NE2-OD1 2.88Å; Q80-D84 PolarHBondContact NE2-OD2 3.16Å; Q80-D84 WeakPolarHBondContact O-CB 3.45Å; Q80-D84 PolarHBondContact O-N 2.85Å; L81-D84 PolarHBondContact O-N 2.81Å; D84-L87 PolarHBondContact O-N 3.35Å; D84-I88 WeakPolarHBondContact O-CB 3.1Å; D84-I88 VanDerWaalsContact O-CG1 3.25Å; D84-I88 WeakPolarHBondContact O-CG1 3.35Å; D84-I88 PolarHBondContact O-N 2.85Å
85V91.6Very high89.8Confident0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-69-35.7176.3178.10000111.7L32 I50 L81 I88 S89 F114 F117L32-V85 HydrophobicContact CD1-CG2 4.4Å; I50-V85 HydrophobicContact CD1-CG2 4.35Å; I50-V85 HydrophobicContact CG2-CG1 4.07Å; I50-V85 HydrophobicContact CG2-CG2 3.69Å; L81-V85 HydrophobicContact CD1-CG2 3.89Å; L81-V85 HydrophobicContact CG-CG2 4.35Å; L81-V85 WeakPolarHBondContact O-CB 3.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.37Å; L81-V85 PolarHBondContact O-N 2.85Å; V85-I88 PolarHBondContact O-N 3.28Å; V85-S89 VanDerWaalsContact O-CB 3.27Å; V85-S89 WeakPolarHBondContact O-CB 3.47Å; V85-S89 PolarHBondContact O-N 2.84Å; V85-S89 PolarHBondContact O-OG 2.84Å; V85-F114 HydrophobicContact CB-CE2 4.41Å; V85-F114 HydrophobicContact CG1-CD2 4.15Å; V85-F114 HydrophobicContact CG1-CE2 4.39Å; V85-F117 HydrophobicContact CB-CD1 4.38Å; V85-F117 HydrophobicContact CB-CE1 4.21Å; V85-F117 HydrophobicContact CG1-CB 4.36Å; V85-F117 HydrophobicContact CG1-CD1 3.66Å; V85-F117 HydrophobicContact CG1-CD2 4.31Å; V85-F117 HydrophobicContact CG1-CE1 3.93Å; V85-F117 HydrophobicContact CG1-CG 3.85Å; V85-F117 HydrophobicContact CG1-CZ 4.36Å; V85-F117 HydrophobicContact CG2-CE1 4.25Å; V85-F117 HydrophobicContact CG2-CZ 4.21Å
86D91.7Very high88.3Confident33 Ų3339.9 Ų39.918%0.17621%0.206CC..Hα-helixtrans-61.5-44.8173178.638.8000111.3L82 H83 S89 K90 F114L82-D86 WeakPolarHBondContact O-CB 3.43Å; L82-D86 PolarHBondContact O-N 3.45Å; H83-D86 PolarHBondContact O-N 2.81Å; D86-S89 PolarHBondContact O-N 3.48Å; D86-K90 VanDerWaalsContact CG-NZ 3.27Å; D86-K90 WeakPolarHBondContact O-CG 3.5Å; D86-K90 PolarHBondContact O-N 3.14Å; D86-K90 WeakPolarHBondContact OD1-CE 3.39Å; D86-K90 IonicContact OD1-NZ 2.61Å; D86-K90 PolarHBondContact OD1-NZ 2.94Å; D86-K90 VanDerWaalsContact OD1-NZ 3.14Å; D86-K90 IonicContact OD2-NZ 2.74Å; D86-K90 PolarHBondContact OD2-NZ 2.55Å; D86-F114 VanDerWaalsContact CA-CD2 3.4Å; D86-F114 HydrophobicContact CB-CD2 3.72Å; D86-F114 HydrophobicContact CB-CE2 3.65Å; D86-F114 HydrophobicContact CB-CG 4.22Å; D86-F114 HydrophobicContact CB-CZ 4.09Å
87L88.7Confident87Confident82 Ų8240.6 Ų40.643%0.42921%0.212SC..Hα-helixtrans-62.2-47.6174.8-71.1173.7000112.3H83 D84 S89 K90 C91H83-L87 WeakPolarHBondContact CE1-CD1 3.31Å; H83-L87 PolarHBondContact O-N 2.97Å; D84-L87 PolarHBondContact O-N 3.35Å; L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 3.18Å; L87-K90 PolarHBondContact O-N 3.45Å; L87-C91 PolarHBondContact O-N 2.94Å; L87-C91 PolarHBondContact O-SG 3.48Å; L87-C91 VanDerWaalsContact O-SG 3.36Å
88I87.3Confident85.3Confident4 Ų448.2 Ų48.22%0.02125%0.248CC..Hα-helixtrans-60.9-42.2178.4-70.4165.4000110.7L32 T36 I43 L46 I50 D84 V85 C91 Y92L32-I88 HydrophobicContact CB-CD1 4.11Å; L32-I88 HydrophobicContact CD2-CD1 4.05Å; T36-I88 HydrophobicContact CG2-CD1 4.48Å; T36-I88 HydrophobicContact CG2-CG1 3.91Å; I43-I88 HydrophobicContact CG1-CG2 4.14Å; L46-I88 HydrophobicContact CD2-CD1 3.97Å; L46-I88 HydrophobicContact CD2-CG1 4.46Å; L46-I88 HydrophobicContact CD2-CG2 4.34Å; I50-I88 HydrophobicContact CD1-CD1 3.86Å; I50-I88 HydrophobicContact CD1-CG2 4.27Å; D84-I88 WeakPolarHBondContact O-CB 3.1Å; D84-I88 VanDerWaalsContact O-CG1 3.25Å; D84-I88 WeakPolarHBondContact O-CG1 3.35Å; D84-I88 PolarHBondContact O-N 2.85Å; V85-I88 PolarHBondContact O-N 3.28Å; I88-C91 PolarHBondContact O-N 2.76Å; I88-Y92 WeakPolarHBondContact O-CB 3.33Å; I88-Y92 PolarHBondContact O-N 3Å
89S87.8Confident83.4Confident1 Ų153.7 Ų53.71%0.00728%0.277CS..Hα-helixtrans-60.6-47.6178.1-59.80000111.2Y47 V85 D86 L87 C91 Y92 E93Y47-S89 WeakPolarHBondContact CE2-OG 3.47Å; V85-S89 VanDerWaalsContact O-CB 3.27Å; V85-S89 WeakPolarHBondContact O-CB 3.47Å; V85-S89 PolarHBondContact O-N 2.84Å; V85-S89 PolarHBondContact O-OG 2.84Å; D86-S89 PolarHBondContact O-N 3.48Å; L87-S89 VanDerWaalsContact C-N 3.3Å; L87-S89 PolarHBondContact O-N 3.18Å; S89-C91 PolarHBondContact O-N 3.04Å; S89-Y92 PolarHBondContact O-N 3.45Å; S89-E93 WeakPolarHBondContact O-CG 3.44Å; S89-E93 PolarHBondContact O-N 3.07Å
90K86Confident81.1Confident106 Ų10654.5 Ų54.546%0.46130%0.298SS..Hα-helixtrans-61.6-41.2177-73.9166.2177.41610112.8D86 L87 S94D86-K90 VanDerWaalsContact CG-NZ 3.27Å; D86-K90 WeakPolarHBondContact O-CG 3.5Å; D86-K90 PolarHBondContact O-N 3.14Å; D86-K90 WeakPolarHBondContact OD1-CE 3.39Å; D86-K90 IonicContact OD1-NZ 2.61Å; D86-K90 PolarHBondContact OD1-NZ 2.94Å; D86-K90 VanDerWaalsContact OD1-NZ 3.14Å; D86-K90 IonicContact OD2-NZ 2.74Å; D86-K90 PolarHBondContact OD2-NZ 2.55Å; L87-K90 PolarHBondContact O-N 3.45Å; K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 2.9Å; K90-S94 VanDerWaalsContact O-N 3.1Å; K90-S94 PolarHBondContact O-OG 3.2Å
91C82.8Confident78.7Confident62 Ų6261.4 Ų61.442%0.41933%0.328SS..Hα-helixtrans-63.8-42.7175.5-73.20000111.5I43 L87 I88 S89 S94 Q95I43-C91 HydrophobicContact CD1-CB 3.36Å; L87-C91 PolarHBondContact O-N 2.94Å; L87-C91 PolarHBondContact O-SG 3.48Å; L87-C91 VanDerWaalsContact O-SG 3.36Å; I88-C91 PolarHBondContact O-N 2.76Å; S89-C91 PolarHBondContact O-N 3.04Å; C91-S94 PolarHBondContact O-N 3Å; C91-Q95 PolarHBondContact O-N 3.03Å; C91-Q95 VanDerWaalsContact O-N 3.11Å
92Y79.6Confident76Confident50 Ų5069.3 Ų69.320%0.19637%0.365CS..Hα-helixtrans-67.2-45.1179.2-175.1-162.9000111.8I43 N44 Y47 I88 S89 S94 Q95 C96 L113I43-Y92 HydrophobicContact CG2-CD2 3.52Å; I43-Y92 HydrophobicContact CG2-CE2 4.36Å; I43-Y92 HydrophobicContact CG2-CG 3.82Å; N44-Y92 HydrophobicContact CB-CD2 4.29Å; N44-Y92 HydrophobicContact CB-CE1 3.84Å; N44-Y92 HydrophobicContact CB-CE2 3.47Å; N44-Y92 VanDerWaalsContact CB-CE2 3.47Å; N44-Y92 WeakPolarHBondContact CB-OH 3.4Å; Y47-Y92 HydrophobicContact CD1-CD1 4.24Å; Y47-Y92 HydrophobicContact CD1-CE1 4.2Å; Y47-Y92 AromaticContact CG-CD1 3.97Å; Y47-Y92 HydrophobicContact CG-CD1 3.97Å; Y47-Y92 HydrophobicContact CG-CE1 4.34Å; I88-Y92 WeakPolarHBondContact O-CB 3.33Å; I88-Y92 PolarHBondContact O-N 3Å; S89-Y92 PolarHBondContact O-N 3.45Å; Y92-S94 PolarHBondContact O-N 2.88Å; Y92-Q95 PolarHBondContact O-N 3.18Å; Y92-C96 WeakPolarHBondContact CE2-SG 3.32Å; Y92-C96 PolarHBondContact O-N 2.89Å; Y92-C96 VanDerWaalsContact O-N 3.08Å; Y92-C96 PolarHBondContact O-SG 3.36Å; Y92-L113 HydrophobicContact CD1-CD1 3.32Å; Y92-L113 HydrophobicContact CE1-CD1 3.84Å; Y92-L113 HydrophobicContact CG-CD1 3.89Å
93E79.8Confident73.4Confident30 Ų3072.5 Ų72.514%0.1439%0.386CS..Hα-helixtrans-57.1-39.1174.8-71.1-179.4176.100112.1S89 C96 I97 G111 K112 L113S89-E93 WeakPolarHBondContact O-CG 3.44Å; S89-E93 PolarHBondContact O-N 3.07Å; E93-C96 PolarHBondContact O-N 2.91Å; E93-I97 WeakPolarHBondContact O-CG1 3.35Å; E93-I97 PolarHBondContact O-N 2.97Å; E93-G111 VanDerWaalsContact CD-N 3.28Å; E93-G111 VanDerWaalsContact OE1-C 3.3Å; E93-G111 VanDerWaalsContact OE1-CA 3.31Å; E93-G111 WeakPolarHBondContact OE1-CA 3.49Å; E93-G111 PolarHBondContact OE1-N 3.14Å; E93-G111 PolarHBondContact OE2-N 3.47Å; E93-K112 PolarHBondContact OE1-N 3.39Å; E93-L113 HydrophobicContact CG-CB 4.5Å; E93-L113 HydrophobicContact CG-CD1 3.83Å; E93-L113 HydrophobicContact CG-CG 4.14Å; E93-L113 PolarHBondContact OE1-N 3.38Å; E93-L113 VanDerWaalsContact OE1-N 3.11Å
94S79.8Confident70.8Confident63 Ų6378.4 Ų78.444%0.44141%0.41SS..Hα-helixtrans-66.2-42.7177.9-56.50000112.2K90 C91 Y92 C96 I97 E98K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 2.9Å; K90-S94 VanDerWaalsContact O-N 3.1Å; K90-S94 PolarHBondContact O-OG 3.2Å; C91-S94 PolarHBondContact O-N 3Å; Y92-S94 PolarHBondContact O-N 2.88Å; S94-C96 VanDerWaalsContact C-N 3.3Å; S94-C96 PolarHBondContact O-N 2.77Å; S94-I97 PolarHBondContact O-N 2.94Å; S94-I97 VanDerWaalsContact O-N 3.16Å; S94-E98 PolarHBondContact O-N 2.94Å
95Q74.3Confident68Low88 Ų8886.7 Ų86.741%0.41145%0.449SS..Hα-helixtrans-65.6-30.5176.7-71.7-175.28.900113.4C91 Y92 I97 N99C91-Q95 PolarHBondContact O-N 3.03Å; C91-Q95 VanDerWaalsContact O-N 3.11Å; Y92-Q95 PolarHBondContact O-N 3.18Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-N99 PolarHBondContact O-N 2.57Å; Q95-N99 PolarHBondContact O-ND2 2.99Å
96C65.9Low65.2Low49 Ų4991 Ų9133%0.33148%0.484SS..Hα-helixtrans-66.4-35.6174-71.40000111.9Y92 E93 S94Y92-C96 WeakPolarHBondContact CE2-SG 3.32Å; Y92-C96 PolarHBondContact O-N 2.89Å; Y92-C96 VanDerWaalsContact O-N 3.08Å; Y92-C96 PolarHBondContact O-SG 3.36Å; E93-C96 PolarHBondContact O-N 2.91Å; S94-C96 VanDerWaalsContact C-N 3.3Å; S94-C96 PolarHBondContact O-N 2.77Å
97I67.6Low62.6Low116 Ų11694.1 Ų94.160%0.59550%0.499SS*.Hα-helixtrans-71.3-42.4179.3-63.9165.4000110.8E93 S94 Q95 N99E93-I97 WeakPolarHBondContact O-CG1 3.35Å; E93-I97 PolarHBondContact O-N 2.97Å; S94-I97 PolarHBondContact O-N 2.94Å; S94-I97 VanDerWaalsContact O-N 3.16Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; I97-N99 PolarHBondContact O-N 3.1Å
98E60.8Low59.9Low159 Ų15996.9 Ų96.974%0.74351%0.514SS*.Hα-helixtrans-68.3-29.6-176.8-72.7179.1174.200113.9S94 G100S94-E98 PolarHBondContact O-N 2.94Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.18Å
99N58.7Low57.8Low116 Ų116100.8 Ų100.862%0.6254%0.542SS*.THydrogen-bonded Turntrans-85.56.1-172.9-77.4-53.9000115.4Q95 I97 K101Q95-N99 PolarHBondContact O-N 2.57Å; Q95-N99 PolarHBondContact O-ND2 2.99Å; I97-N99 PolarHBondContact O-N 3.1Å; N99-K101 PolarHBondContact O-N 3.15Å
100G48.4Very low55.9Low72 Ų72109.3 Ų109.374%0.74258%0.579SS**  trans60.20.2177.400000115.6E98 Q102E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.18Å; G100-Q102 PolarHBondContact O-N 3.25Å
101K43.9Very low54.5Low168 Ų168105.9 Ų105.973%0.7357%0.573SS**  trans-82.998.5172-73.2-179-179.8175.50107N99 P103N99-K101 PolarHBondContact O-N 3.15Å; K101-P103 VanDerWaalsContact O-N 3.15Å
102Q38.1Very low54Low166 Ų166106.2 Ų106.278%0.77657%0.568SS**  trans-42.5123.4151.4-80.5-98.4-24.800107.1G100 K104G100-Q102 PolarHBondContact O-N 3.25Å; Q102-K104 PolarHBondContact O-N 3.42Å
103P42.7Very low54.2Low68 Ų68105.1 Ų105.144%0.44257%0.565SS.*  trans-58.1116175.622.6-28.6000105.6K101 E105K101-P103 VanDerWaalsContact O-N 3.15Å; P103-E105 VanDerWaalsContact C-N 3.33Å; P103-E105 PolarHBondContact O-N 3.04Å
104K38.3Very low54.7Low206 Ų206104.3 Ų104.390%0.89656%0.561SS**SBendtrans-56.5109.3169.8-76.6-175.4175.6-176.90104.6Q102Q102-K104 PolarHBondContact O-N 3.42Å
105E34.3Very low55.1Low182 Ų182103.3 Ų103.385%0.8555%0.551SS**SBendtrans89.381.3-176.1-55.7170.2-166.900115.4P103P103-E105 VanDerWaalsContact C-N 3.33Å; P103-E105 PolarHBondContact O-N 3.04Å
106A32.7Very low55.7Low89 Ų89103.4 Ų103.474%0.73655%0.551SS**  trans59.175.6138.700000120.3
107M38Very low57Low100 Ų100101.1 Ų101.149%0.49354%0.535SS..  trans-147.5100.1153.6-77-160.9164.500114.1K112M107-K112 HydrophobicContact CB-CD 4.04Å; M107-K112 HydrophobicContact CE-CB 4.38Å; M107-K112 HydrophobicContact CE-CD 3.83Å; M107-K112 HydrophobicContact CG-CD 3.76Å; M107-K112 HydrophobicContact SD-CB 3.68Å; M107-K112 HydrophobicContact SD-CD 3.35Å; M107-K112 WeakPolarHBondContact SD-CD 3.1Å; M107-K112 HydrophobicContact SD-CG 4.15Å
108N31.9Very low58.2Low139 Ų13995.8 Ų95.874%0.74351%0.509SS*.  trans-74.9142.6153.8-79.5-15.5000109.6K112N108-K112 WeakPolarHBondContact O-CE 3.45Å; N108-K112 PolarHBondContact O-NZ 2.82Å
109S42.5Very low59.6Low87 Ų8790.6 Ų90.661%0.60849%0.488SS*.SBendtrans93.4121.9172.281.90000118.7K112S109-K112 WeakPolarHBondContact OG-CE 3.22Å
110K46.9Very low61.2Low180 Ų18086.9 Ų86.978%0.78347%0.467SS*.THydrogen-bonded Turntrans-48.5142166.7-72.7178.1172.7-179.60112
111G56.6Low63.1Low33 Ų3385.8 Ų85.834%0.3445%0.446SS..THydrogen-bonded Turntrans93.99.8173.900000116.1E93E93-G111 VanDerWaalsContact CD-N 3.28Å; E93-G111 VanDerWaalsContact OE1-C 3.3Å; E93-G111 VanDerWaalsContact OE1-CA 3.31Å; E93-G111 WeakPolarHBondContact OE1-CA 3.49Å; E93-G111 PolarHBondContact OE1-N 3.14Å; E93-G111 PolarHBondContact OE2-N 3.47Å
112K72.3Confident65.2Low70 Ų7078.2 Ų78.230%0.30441%0.414SS..Hα-helixtrans-80.2-29.7-175.7-85.3-172.5174.1172.80114E93 M107 N108 S109 E116E93-K112 PolarHBondContact OE1-N 3.39Å; M107-K112 HydrophobicContact CB-CD 4.04Å; M107-K112 HydrophobicContact CE-CB 4.38Å; M107-K112 HydrophobicContact CE-CD 3.83Å; M107-K112 HydrophobicContact CG-CD 3.76Å; M107-K112 HydrophobicContact SD-CB 3.68Å; M107-K112 HydrophobicContact SD-CD 3.35Å; M107-K112 WeakPolarHBondContact SD-CD 3.1Å; M107-K112 HydrophobicContact SD-CG 4.15Å; N108-K112 WeakPolarHBondContact O-CE 3.45Å; N108-K112 PolarHBondContact O-NZ 2.82Å; S109-K112 WeakPolarHBondContact OG-CE 3.22Å; K112-E116 WeakPolarHBondContact O-CB 3.46Å; K112-E116 PolarHBondContact O-N 3.24Å
113L84.4Confident67.2Low27 Ų2773.1 Ų73.114%0.14139%0.389CS..Hα-helixtrans-68.6-51.6-177.9-70.9180000110.6Y47 Y92 E93 D115 E116 F117Y47-L113 HydrophobicContact CD1-CD2 4.39Å; Y47-L113 HydrophobicContact CE1-CB 4.36Å; Y47-L113 HydrophobicContact CE1-CD2 3.75Å; Y47-L113 HydrophobicContact CE1-CG 4.48Å; Y47-L113 HydrophobicContact CE2-CB 4Å; Y47-L113 PolarHBondContact OH-O 2.91Å; Y92-L113 HydrophobicContact CD1-CD1 3.32Å; Y92-L113 HydrophobicContact CE1-CD1 3.84Å; Y92-L113 HydrophobicContact CG-CD1 3.89Å; E93-L113 HydrophobicContact CG-CB 4.5Å; E93-L113 HydrophobicContact CG-CD1 3.83Å; E93-L113 HydrophobicContact CG-CG 4.14Å; E93-L113 PolarHBondContact OE1-N 3.38Å; E93-L113 VanDerWaalsContact OE1-N 3.11Å; L113-D115 PolarHBondContact O-N 3.3Å; L113-E116 WeakPolarHBondContact O-CA 3.33Å; L113-E116 VanDerWaalsContact O-CB 3.3Å; L113-E116 WeakPolarHBondContact O-CB 3.47Å; L113-E116 PolarHBondContact O-N 3.29Å; L113-F117 PolarHBondContact O-N 3.37Å
114F90Very high68.9Low13 Ų1370.8 Ų70.86%0.05737%0.373CS..Hα-helixtrans-59.5-38178.9-174.4-104.8000113L82 V85 D86 F117 C118 Y147L82-F114 HydrophobicContact CB-CZ 4.49Å; L82-F114 HydrophobicContact CD2-CE2 4.37Å; L82-F114 HydrophobicContact CD2-CZ 4.01Å; L82-F114 WeakPolarHBondContact O-CE2 3.19Å; V85-F114 HydrophobicContact CB-CE2 4.41Å; V85-F114 HydrophobicContact CG1-CD2 4.15Å; V85-F114 HydrophobicContact CG1-CE2 4.39Å; D86-F114 VanDerWaalsContact CA-CD2 3.4Å; D86-F114 HydrophobicContact CB-CD2 3.72Å; D86-F114 HydrophobicContact CB-CE2 3.65Å; D86-F114 HydrophobicContact CB-CG 4.22Å; D86-F114 HydrophobicContact CB-CZ 4.09Å; F114-F117 HydrophobicContact CE2-CD1 4.49Å; F114-F117 PolarHBondContact O-N 2.56Å; F114-C118 PolarHBondContact O-N 3.49Å; F114-C118 VanDerWaalsContact O-N 3.15Å; F114-C118 PolarHBondContact O-SG 2.89Å; F114-Y147 HydrophobicContact CE1-CD1 4.33Å; F114-Y147 AromaticContact CZ-CD1 3.91Å; F114-Y147 HydrophobicContact CZ-CD1 3.91Å; F114-Y147 HydrophobicContact CZ-CG 4.31Å
115D87.9Confident71.1Confident42 Ų4261.6 Ų61.623%0.22534%0.337CS..Hα-helixtrans-59-47.8171.7-78.5-7.9000111.1L113 F117 C118 V119 H148 K150L113-D115 PolarHBondContact O-N 3.3Å; D115-F117 VanDerWaalsContact C-N 3.34Å; D115-F117 PolarHBondContact O-N 3.02Å; D115-C118 PolarHBondContact O-N 3.27Å; D115-C118 VanDerWaalsContact O-N 3.16Å; D115-V119 WeakPolarHBondContact O-CG1 3.38Å; D115-V119 WeakPolarHBondContact O-CG2 3.31Å; D115-V119 PolarHBondContact O-N 3.23Å; D115-V119 VanDerWaalsContact O-N 3.17Å; D115-H148 IonicContact OD1-CD2 2.57Å; D115-H148 PolarHBondContact OD1-CD2 2.96Å; D115-H148 VanDerWaalsContact OD1-CD2 3.22Å; D115-H148 IonicContact OD1-NE2 2.83Å; D115-K150 IonicContact OD1-NZ 3.23Å; D115-K150 IonicContact OD2-NZ 2.68Å; D115-K150 PolarHBondContact OD2-NZ 3.28Å
116E88.3Confident73.7Confident89 Ų8953.3 Ų53.342%0.41630%0.298SS..Hα-helixtrans-55.9-46.3177.4-169.2179.5-177.200111.6K112 L113 C118 V119 L120K112-E116 WeakPolarHBondContact O-CB 3.46Å; K112-E116 PolarHBondContact O-N 3.24Å; L113-E116 WeakPolarHBondContact O-CA 3.33Å; L113-E116 VanDerWaalsContact O-CB 3.3Å; L113-E116 WeakPolarHBondContact O-CB 3.47Å; L113-E116 PolarHBondContact O-N 3.29Å; E116-C118 VanDerWaalsContact C-N 3.34Å; E116-C118 PolarHBondContact O-N 3.34Å; E116-V119 VanDerWaalsContact O-CG2 3.28Å; E116-V119 WeakPolarHBondContact O-CG2 3.32Å; E116-V119 PolarHBondContact O-N 3.4Å; E116-L120 WeakPolarHBondContact O-CG 3.07Å; E116-L120 PolarHBondContact O-N 3.27Å
117F91.5Very high76.6Confident1 Ų149.1 Ų49.10%0.00426%0.263CS..Hα-helixtrans-58.5-43.1176.4173.7-107.4000112.8I50 L66 L81 L82 V85 L113 F114 D115 V119 L120I50-F117 HydrophobicContact CG2-CD2 3.86Å; I50-F117 HydrophobicContact CG2-CE2 3.52Å; I50-F117 HydrophobicContact CG2-CZ 4.17Å; L66-F117 HydrophobicContact CB-CE1 4.13Å; L66-F117 HydrophobicContact CB-CE2 4.48Å; L66-F117 HydrophobicContact CB-CZ 3.76Å; L66-F117 HydrophobicContact CD2-CE1 4.05Å; L66-F117 HydrophobicContact CG-CE1 4.47Å; L81-F117 HydrophobicContact CD2-CZ 4.28Å; L81-F117 HydrophobicContact CG-CZ 4.38Å; L82-F117 HydrophobicContact CD2-CE1 4.32Å; V85-F117 HydrophobicContact CB-CD1 4.38Å; V85-F117 HydrophobicContact CB-CE1 4.21Å; V85-F117 HydrophobicContact CG1-CB 4.36Å; V85-F117 HydrophobicContact CG1-CD1 3.66Å; V85-F117 HydrophobicContact CG1-CD2 4.31Å; V85-F117 HydrophobicContact CG1-CE1 3.93Å; V85-F117 HydrophobicContact CG1-CG 3.85Å; V85-F117 HydrophobicContact CG1-CZ 4.36Å; V85-F117 HydrophobicContact CG2-CE1 4.25Å; V85-F117 HydrophobicContact CG2-CZ 4.21Å; L113-F117 PolarHBondContact O-N 3.37Å; F114-F117 HydrophobicContact CE2-CD1 4.49Å; F114-F117 PolarHBondContact O-N 2.56Å; D115-F117 VanDerWaalsContact C-N 3.34Å; D115-F117 PolarHBondContact O-N 3.02Å; F117-V119 VanDerWaalsContact C-N 3.28Å; F117-V119 PolarHBondContact O-N 3.48Å; F117-L120 HydrophobicContact CD2-CD1 4.15Å; F117-L120 PolarHBondContact O-N 3.02Å
118C93.2Very high79.3Confident5 Ų544.4 Ų44.43%0.03424%0.24CC..Hα-helixtrans-74-16-177.6-66.70000114.1F114 D115 E116 H148 S151F114-C118 PolarHBondContact O-N 3.49Å; F114-C118 VanDerWaalsContact O-N 3.15Å; F114-C118 PolarHBondContact O-SG 2.89Å; D115-C118 PolarHBondContact O-N 3.27Å; D115-C118 VanDerWaalsContact O-N 3.16Å; E116-C118 VanDerWaalsContact C-N 3.34Å; E116-C118 PolarHBondContact O-N 3.34Å; C118-H148 HydrophobicContact CB-CB 3.78Å; C118-H148 VanDerWaalsContact CB-CG 3.44Å; C118-H148 WeakPolarHBondContact CB-ND1 3.39Å; C118-S151 PolarHBondContact O-OG 3.37Å; C118-S151 VanDerWaalsContact O-OG 3.14Å
119V91.9Very high82.4Confident50 Ų5037.8 Ų37.830%0.30321%0.205SC..Hα-helixtrans-103.3-2178.4-55.50000113.4D115 E116 F117 T121 L154D115-V119 WeakPolarHBondContact O-CG1 3.38Å; D115-V119 WeakPolarHBondContact O-CG2 3.31Å; D115-V119 PolarHBondContact O-N 3.23Å; D115-V119 VanDerWaalsContact O-N 3.17Å; E116-V119 VanDerWaalsContact O-CG2 3.28Å; E116-V119 WeakPolarHBondContact O-CG2 3.32Å; E116-V119 PolarHBondContact O-N 3.4Å; F117-V119 VanDerWaalsContact C-N 3.28Å; F117-V119 PolarHBondContact O-N 3.48Å; V119-T121 WeakPolarHBondContact O-CG2 3.45Å; V119-T121 PolarHBondContact O-N 2.93Å; V119-L154 HydrophobicContact CB-CD1 3.73Å; V119-L154 HydrophobicContact CG1-CD1 3.38Å
120L90.6Very high84.9Confident37 Ų3733.7 Ų33.719%0.19418%0.176CC..  trans-55.4140.6169.6-67.5172.6000109.8C51 T64 H67 E116 F117C51-L120 HydrophobicContact CB-CD1 3.76Å; T64-L120 HydrophobicContact CG2-CB 3.7Å; T64-L120 HydrophobicContact CG2-CD1 3.74Å; T64-L120 HydrophobicContact CG2-CG 4.31Å; H67-L120 PolarHBondContact CE1-O 3.18Å; H67-L120 VanDerWaalsContact CE1-O 3.23Å; E116-L120 WeakPolarHBondContact O-CG 3.07Å; E116-L120 PolarHBondContact O-N 3.27Å; F117-L120 HydrophobicContact CD2-CD1 4.15Å; F117-L120 PolarHBondContact O-N 3.02Å
121T89.8Confident87.1Confident49 Ų4925.2 Ų25.230%0.30114%0.14SC..BIsolated β-bridgetrans-115.5156.6-176.464.60000112.1Q53 V119 G125 N126 T127Q53-T121 PolarHBondContact NE2-O 2.93Å; V119-T121 WeakPolarHBondContact O-CG2 3.45Å; V119-T121 PolarHBondContact O-N 2.93Å; T121-G125 VanDerWaalsContact CB-C 3.49Å; T121-G125 VanDerWaalsContact CG2-O 3.29Å; T121-G125 WeakPolarHBondContact CG2-O 3.22Å; T121-N126 CarbonylContact C-O 3.55Å; T121-N126 WeakPolarHBondContact CA-O 3.35Å; T121-N126 WeakPolarHBondContact CB-O 3.39Å; T121-T127 HydrophobicContact CG2-CG2 4.12Å
122D87.4Confident88.9Confident9 Ų923.6 Ų23.65%0.04812%0.123CC..  trans-70.7-177.8160.571.42000111.2Q62 H67 N124 G125 N126Q62-D122 WeakPolarHBondContact O-CB 3.26Å; H67-D122 PolarHBondContact NE2-N 2.75Å; D122-N124 PolarHBondContact O-N 2.87Å; D122-N124 VanDerWaalsContact O-N 3.08Å; D122-N124 WeakPolarHBondContact OD1-CA 3.38Å; D122-N124 VanDerWaalsContact OD1-CB 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3.21Å; D122-N124 PolarHBondContact OD1-N 3.18Å; D122-G125 PolarHBondContact O-N 3.28Å; D122-G125 PolarHBondContact OD1-N 2.99Å; D122-G125 VanDerWaalsContact OD1-N 3.08Å; D122-N126 PolarHBondContact N-O 3.24Å; D122-N126 WeakPolarHBondContact OD1-CB 3.31Å; D122-N126 PolarHBondContact OD1-N 2.98Å; D122-N126 PolarHBondContact OD2-ND2 2.89Å
123K80.4Confident90Very high59 Ų5920.3 Ų20.326%0.25711%0.109SC..THydrogen-bonded Turntrans-61.5-12.5172.961.4173.8174.7166.70114.8E56 Q62 K157 S478E56-K123 IonicContact OE1-NZ 3.14Å; E56-K123 PolarHBondContact OE1-NZ 3.37Å; E56-K123 IonicContact OE2-NZ 2.66Å; E56-K123 PolarHBondContact OE2-NZ 2.98Å; Q62-K123 HydrophobicContact CB-CD 4.36Å; Q62-K123 HydrophobicContact CB-CG 4.39Å; K123-K157 PolarHBondContact O-NZ 3.49Å; K123-S478 VanDerWaalsContact CE-OG 3.3Å; K123-S478 WeakPolarHBondContact CE-OG 3Å; K123-S478 PolarHBondContact NZ-OG 2.97Å
124N78.2Confident90.3Very high20 Ų2021.2 Ų21.211%0.10711%0.113CC..THydrogen-bonded Turntrans-95.35.4176-64.6-39.2000113.1D122 N126 K157D122-N124 PolarHBondContact O-N 2.87Å; D122-N124 VanDerWaalsContact O-N 3.08Å; D122-N124 WeakPolarHBondContact OD1-CA 3.38Å; D122-N124 VanDerWaalsContact OD1-CB 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3.21Å; D122-N124 PolarHBondContact OD1-N 3.18Å; N124-N126 VanDerWaalsContact CB-ND2 3.3Å; N124-N126 WeakPolarHBondContact CB-ND2 3.34Å; N124-N126 PolarHBondContact O-N 2.95Å; N124-K157 VanDerWaalsContact CA-CE 3.41Å; N124-K157 WeakPolarHBondContact O-CB 3.4Å; N124-K157 WeakPolarHBondContact O-CD 3.24Å; N124-K157 WeakPolarHBondContact O-CG 3.42Å; N124-K157 PolarHBondContact O-N 3.2Å; N124-K157 WeakPolarHBondContact OD1-CE 3.3Å; N124-K157 PolarHBondContact OD1-NZ 3.36Å
125G83.9Confident90.3Very high12 Ų1223.8 Ų23.812%0.12413%0.127CC..SBendtrans66.78.9-173.300000112.4T121 D122 N156T121-G125 VanDerWaalsContact CB-C 3.49Å; T121-G125 VanDerWaalsContact CG2-O 3.29Å; T121-G125 WeakPolarHBondContact CG2-O 3.22Å; D122-G125 PolarHBondContact O-N 3.28Å; D122-G125 PolarHBondContact OD1-N 2.99Å; D122-G125 VanDerWaalsContact OD1-N 3.08Å; G125-N156 WeakPolarHBondContact O-CA 3.27Å; G125-N156 VanDerWaalsContact O-CB 3.22Å; G125-N156 WeakPolarHBondContact O-CB 3.38Å
126N89.2Confident90.6Very high8 Ų826.8 Ų26.84%0.04314%0.138CC..  trans-78.1129.6176.2-64.7-44.1000108.1H67 T121 D122 N124 H130 M134 N156H67-N126 PolarHBondContact NE2-O 3.2Å; T121-N126 CarbonylContact C-O 3.55Å; T121-N126 WeakPolarHBondContact CA-O 3.35Å; T121-N126 WeakPolarHBondContact CB-O 3.39Å; D122-N126 PolarHBondContact N-O 3.24Å; D122-N126 WeakPolarHBondContact OD1-CB 3.31Å; D122-N126 PolarHBondContact OD1-N 2.98Å; D122-N126 PolarHBondContact OD2-ND2 2.89Å; N124-N126 VanDerWaalsContact CB-ND2 3.3Å; N124-N126 WeakPolarHBondContact CB-ND2 3.34Å; N124-N126 PolarHBondContact O-N 2.95Å; N126-H130 HydrophobicContact CB-CB 3.69Å; N126-M134 HydrophobicContact CB-CE 4.49Å; N126-N156 WeakPolarHBondContact OD1-CB 3.33Å; N126-N156 PolarHBondContact OD1-ND2 3.19Å
127T94Very high91Very high1 Ų123.9 Ų23.91%0.00613%0.126CC..BIsolated β-bridgetrans-73.1165.9162.5680000109.9H67 T121 L129 H130 C131 L154H67-T127 VanDerWaalsContact NE2-C 3.32Å; T121-T127 HydrophobicContact CG2-CG2 4.12Å; T127-L129 PolarHBondContact O-N 3.13Å; T127-L129 PolarHBondContact OG1-N 3.15Å; T127-H130 PolarHBondContact N-ND1 2.62Å; T127-H130 WeakPolarHBondContact O-CA 3.42Å; T127-H130 WeakPolarHBondContact O-CB 3.24Å; T127-H130 PolarHBondContact O-N 3.03Å; T127-H130 PolarHBondContact OG1-N 2.81Å; T127-H130 PolarHBondContact OG1-ND1 2.58Å; T127-C131 PolarHBondContact O-N 3.14Å; T127-L154 HydrophobicContact CG2-CD1 4.42Å
128A94.9Very high91.2Very high1 Ų127.9 Ų27.91%0.00814%0.141CC..Hα-helixtrans-56.1-28.7173.900000113L66 H67 V70 C131 A132L66-A128 HydrophobicContact CB-CB 4.15Å; L66-A128 HydrophobicContact CD2-CB 3.72Å; L66-A128 HydrophobicContact CG-CB 3.53Å; H67-A128 PolarHBondContact NE2-N 2.84Å; H67-A128 VanDerWaalsContact NE2-N 3.15Å; V70-A128 HydrophobicContact CG2-CB 4.05Å; A128-C131 PolarHBondContact O-N 3.02Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 2.83Å
129L96.5Very high91.4Very high1 Ų133 Ų331%0.00517%0.168CC..Hα-helixtrans-67.1-39.7173.1-174.462.9000112.3T127 C131 A132 V133 V141 I144 I152T127-L129 PolarHBondContact O-N 3.13Å; T127-L129 PolarHBondContact OG1-N 3.15Å; L129-C131 VanDerWaalsContact C-N 3.33Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-V133 WeakPolarHBondContact O-CB 3.35Å; L129-V133 VanDerWaalsContact O-CG2 3.28Å; L129-V133 WeakPolarHBondContact O-CG2 3.29Å; L129-V133 PolarHBondContact O-N 3.13Å; L129-V141 HydrophobicContact CD1-CB 4.41Å; L129-V141 HydrophobicContact CD1-CG1 4.04Å; L129-V141 HydrophobicContact CD1-CG2 4.34Å; L129-I144 HydrophobicContact CB-CG2 4.14Å; L129-I144 HydrophobicContact CD1-CB 4.12Å; L129-I144 HydrophobicContact CD1-CG2 3.95Å; L129-I144 HydrophobicContact CG-CG2 4.49Å; L129-I152 HydrophobicContact CD2-CB 4.47Å; L129-I152 HydrophobicContact CD2-CG1 3.69Å
130H94.5Very high91.6Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-60.7-45.7174.1-71.484.9000110.3N126 T127 A132 V133 M134 L154 Y160 C162 L165N126-H130 HydrophobicContact CB-CB 3.69Å; T127-H130 PolarHBondContact N-ND1 2.62Å; T127-H130 WeakPolarHBondContact O-CA 3.42Å; T127-H130 WeakPolarHBondContact O-CB 3.24Å; T127-H130 PolarHBondContact O-N 3.03Å; T127-H130 PolarHBondContact OG1-N 2.81Å; T127-H130 PolarHBondContact OG1-ND1 2.58Å; H130-A132 PolarHBondContact O-N 2.8Å; H130-V133 PolarHBondContact O-N 2.81Å; H130-M134 WeakPolarHBondContact O-CG 3.42Å; H130-M134 PolarHBondContact O-N 3.41Å; H130-L154 PolarHBondContact CE1-O 3.42Å; H130-L154 PolarHBondContact NE2-O 3.44Å; H130-L154 VanDerWaalsContact NE2-O 3.11Å; H130-Y160 PolarHBondContact NE2-O 3.4Å; H130-Y160 VanDerWaalsContact NE2-O 3.12Å; H130-C162 PolarHBondContact NE2-N 2.93Å; H130-L165 HydrophobicContact CB-CD1 4.3Å
131C93.3Very high91.9Very high2 Ų229.2 Ų29.21%0.01415%0.146CC..Hα-helixtrans-60.1-46176.6-59.90000111.8V70 Y71 T127 A128 L129 V133 M134 D135V70-C131 HydrophobicContact CG1-CB 4.24Å; Y71-C131 HydrophobicContact CE1-CB 3.93Å; Y71-C131 PolarHBondContact OH-SG 2.86Å; T127-C131 PolarHBondContact O-N 3.14Å; A128-C131 PolarHBondContact O-N 3.02Å; L129-C131 VanDerWaalsContact C-N 3.33Å; C131-V133 VanDerWaalsContact C-N 3.29Å; C131-V133 PolarHBondContact O-N 2.7Å; C131-M134 PolarHBondContact O-N 3.12Å; C131-D135 PolarHBondContact O-N 3.41Å
132A95.7Very high92.2Very high0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-62.2-36.1177.900000112.9V70 A128 L129 H130 K136 L137 I140 V141 I144V70-A132 HydrophobicContact CG1-CB 3.76Å; V70-A132 HydrophobicContact CG2-CB 4.49Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 2.83Å; L129-A132 PolarHBondContact O-N 2.85Å; H130-A132 PolarHBondContact O-N 2.8Å; A132-K136 PolarHBondContact O-N 2.89Å; A132-L137 PolarHBondContact O-N 3.21Å; A132-I140 HydrophobicContact CB-CG2 3.85Å; A132-V141 HydrophobicContact CB-CG2 3.68Å; A132-I144 HydrophobicContact CB-CD1 4.2Å
133V95Very high92.7Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-68.8-47.6175.1168.90000110.9L129 H130 C131 D135 K136 V141 C162 L165 A166 L170 M175 L179L129-V133 WeakPolarHBondContact O-CB 3.35Å; L129-V133 VanDerWaalsContact O-CG2 3.28Å; L129-V133 WeakPolarHBondContact O-CG2 3.29Å; L129-V133 PolarHBondContact O-N 3.13Å; H130-V133 PolarHBondContact O-N 2.81Å; C131-V133 VanDerWaalsContact C-N 3.29Å; C131-V133 PolarHBondContact O-N 2.7Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 2.77Å; V133-K136 PolarHBondContact O-N 2.94Å; V133-V141 HydrophobicContact CG2-CG1 4.36Å; V133-V141 HydrophobicContact CG2-CG2 3.79Å; V133-C162 HydrophobicContact CG2-CB 4.18Å; V133-L165 HydrophobicContact CG1-CB 4.2Å; V133-A166 HydrophobicContact CG1-CB 4.16Å; V133-L170 HydrophobicContact CG1-CD1 3.94Å; V133-L170 WeakPolarHBondContact O-CD1 3.46Å; V133-M175 HydrophobicContact CG1-CG 4.13Å; V133-M175 HydrophobicContact CG2-CG 4.5Å; V133-M175 HydrophobicContact CG2-SD 4.34Å; V133-L179 HydrophobicContact CG1-CD1 4.42Å; V133-L179 HydrophobicContact CG2-CD1 3.97Å; V133-L179 HydrophobicContact CG2-CD2 4.12Å
134M90.4Very high93.4Very high47 Ų4726.4 Ų26.423%0.23213%0.133CC..Hα-helixtrans-57.8-40.7178.8-71.5-172.3-61.300112N126 H130 C131 K136 L165N126-M134 HydrophobicContact CB-CE 4.49Å; H130-M134 WeakPolarHBondContact O-CG 3.42Å; H130-M134 PolarHBondContact O-N 3.41Å; C131-M134 PolarHBondContact O-N 3.12Å; M134-K136 PolarHBondContact O-N 2.86Å; M134-L165 HydrophobicContact CG-CD1 3.85Å; M134-L165 HydrophobicContact SD-CD1 4.19Å
135D90.4Very high94.3Very high67 Ų6725.6 Ų25.636%0.35813%0.129SC..THydrogen-bonded Turntrans-81.94.8178.1-77.412.1000113.9C131 V133 L137C131-D135 PolarHBondContact O-N 3.41Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 2.77Å; D135-L137 VanDerWaalsContact C-N 3.27Å; D135-L137 HydrophobicContact CB-CD1 3.85Å; D135-L137 HydrophobicContact CB-CD2 4.44Å; D135-L137 HydrophobicContact CB-CG 3.75Å; D135-L137 PolarHBondContact O-N 2.94Å
136K94.4Very high94.8Very high104 Ų10431.6 Ų31.645%0.45215%0.151SC..THydrogen-bonded Turntrans55.436.3-179.9-57.9-179.1179.8177.40113.9A132 V133 M134 Y138 L170A132-K136 PolarHBondContact O-N 2.89Å; V133-K136 PolarHBondContact O-N 2.94Å; M134-K136 PolarHBondContact O-N 2.86Å; K136-Y138 VanDerWaalsContact O-CD2 3.3Å; K136-Y138 WeakPolarHBondContact O-CD2 3.36Å; K136-Y138 PolarHBondContact O-N 3.43Å; K136-Y138 VanDerWaalsContact O-N 3.13Å; K136-L170 HydrophobicContact CG-CD1 4.41Å
137L95.2Very high95Very high29 Ų2934.4 Ų34.415%0.15216%0.162CC..  trans-86.976.1-177.5-56.9173.5000111.4V70 K73 A132 D135 D139 I140 V141V70-L137 HydrophobicContact CG1-CD1 4.08Å; K73-L137 HydrophobicContact CB-CD2 4.44Å; K73-L137 HydrophobicContact CD-CD2 4.16Å; K73-L137 HydrophobicContact CG-CD1 4.1Å; K73-L137 HydrophobicContact CG-CD2 4.03Å; A132-L137 PolarHBondContact O-N 3.21Å; D135-L137 VanDerWaalsContact C-N 3.27Å; D135-L137 HydrophobicContact CB-CD1 3.85Å; D135-L137 HydrophobicContact CB-CD2 4.44Å; D135-L137 HydrophobicContact CB-CG 3.75Å; D135-L137 PolarHBondContact O-N 2.94Å; L137-D139 PolarHBondContact O-N 3.03Å; L137-I140 HydrophobicContact CB-CB 3.97Å; L137-I140 HydrophobicContact CB-CD1 4.2Å; L137-I140 HydrophobicContact CB-CG1 4.48Å; L137-I140 HydrophobicContact CD1-CD1 3.91Å; L137-I140 PolarHBondContact O-N 3.33Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 2.91Å
138Y96.6Very high94.9Very high85 Ų8534.6 Ų34.633%0.33316%0.163SC..Hα-helixtrans-53.3-45.2-172.6-60.7-84.5000114.5K136 V141 N142 D172 K174 M175 L178K136-Y138 VanDerWaalsContact O-CD2 3.3Å; K136-Y138 WeakPolarHBondContact O-CD2 3.36Å; K136-Y138 PolarHBondContact O-N 3.43Å; K136-Y138 VanDerWaalsContact O-N 3.13Å; Y138-V141 PolarHBondContact O-N 3.42Å; Y138-N142 VanDerWaalsContact O-CB 3.27Å; Y138-N142 WeakPolarHBondContact O-CB 3.45Å; Y138-N142 PolarHBondContact O-N 3.28Å; Y138-D172 PolarHBondContact OH-OD1 3.36Å; Y138-D172 VanDerWaalsContact OH-OD1 3.14Å; Y138-D172 PolarHBondContact OH-OD2 3.49Å; Y138-K174 HydrophobicContact CE1-CB 3.82Å; Y138-M175 HydrophobicContact CD1-CE 3.52Å; Y138-M175 HydrophobicContact CD1-SD 4.08Å; Y138-M175 HydrophobicContact CE1-CB 3.95Å; Y138-M175 HydrophobicContact CE1-CE 3.74Å; Y138-M175 HydrophobicContact CE1-SD 4.37Å; Y138-M175 HydrophobicContact CG-CE 3.98Å; Y138-L178 HydrophobicContact CD1-CD2 4.44Å; Y138-L178 WeakPolarHBondContact O-CD2 3.1Å
139D96.6Very high94.7Very high112 Ų11236.7 Ų36.760%0.59917%0.174SC*.Hα-helixtrans-71.3-34.1-176.5-59.1-46.5000112.1I75 L137 T143I75-D139 HydrophobicContact CD1-CB 3.51Å; L137-D139 PolarHBondContact O-N 3.03Å; D139-T143 WeakPolarHBondContact O-CB 3.49Å; D139-T143 PolarHBondContact O-N 2.79Å; D139-T143 PolarHBondContact O-OG1 3.25Å
140I97.2Very high94.3Very high7 Ų742.2 Ų42.24%0.03620%0.198CC..Hα-helixtrans-70.7-44174.3-70.8170.9000110.1V70 I75 V78 A132 L137 N142 T143 I144V70-I140 HydrophobicContact CG1-CG2 4.46Å; V70-I140 HydrophobicContact CG2-CG2 3.96Å; I75-I140 HydrophobicContact CB-CG1 4.26Å; V78-I140 HydrophobicContact CG1-CG2 4.36Å; V78-I140 HydrophobicContact CG2-CD1 4.49Å; V78-I140 HydrophobicContact CG2-CG2 4.28Å; A132-I140 HydrophobicContact CB-CG2 3.85Å; L137-I140 HydrophobicContact CB-CB 3.97Å; L137-I140 HydrophobicContact CB-CD1 4.2Å; L137-I140 HydrophobicContact CB-CG1 4.48Å; L137-I140 HydrophobicContact CD1-CD1 3.91Å; L137-I140 PolarHBondContact O-N 3.33Å; I140-N142 VanDerWaalsContact C-N 3.3Å; I140-N142 PolarHBondContact O-N 3.4Å; I140-T143 PolarHBondContact O-N 2.66Å; I140-T143 VanDerWaalsContact O-N 3.14Å; I140-I144 HydrophobicContact CG2-CD1 3.79Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.44Å
141V97.3Very high93.9Very high0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-57-46.4173.2169.10000110.6L129 A132 V133 L137 Y138 T143 I144 C145 M175 L178 L179L129-V141 HydrophobicContact CD1-CB 4.41Å; L129-V141 HydrophobicContact CD1-CG1 4.04Å; L129-V141 HydrophobicContact CD1-CG2 4.34Å; A132-V141 HydrophobicContact CB-CG2 3.68Å; V133-V141 HydrophobicContact CG2-CG1 4.36Å; V133-V141 HydrophobicContact CG2-CG2 3.79Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 2.91Å; Y138-V141 PolarHBondContact O-N 3.42Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 2.95Å; V141-I144 PolarHBondContact O-N 3.16Å; V141-C145 WeakPolarHBondContact O-CB 3.37Å; V141-C145 PolarHBondContact O-N 3.08Å; V141-C145 PolarHBondContact O-SG 2.92Å; V141-M175 HydrophobicContact CB-SD 4.11Å; V141-M175 HydrophobicContact CG1-SD 3.83Å; V141-M175 HydrophobicContact CG2-CE 4Å; V141-M175 HydrophobicContact CG2-SD 3.92Å; V141-L178 HydrophobicContact CB-CD2 4.1Å; V141-L178 HydrophobicContact CG1-CD2 3.73Å; V141-L178 HydrophobicContact CG1-CG 4.34Å; V141-L179 HydrophobicContact CG1-CD2 3.8Å; V141-L179 HydrophobicContact CG1-CG 4.46Å
142N96Very high93.8Very high39 Ų3942.1 Ų42.121%0.20920%0.197CC..Hα-helixtrans-60.1-42.2176.8-173.445.6000111.6Y138 I140 K146 L178 Y182Y138-N142 VanDerWaalsContact O-CB 3.27Å; Y138-N142 WeakPolarHBondContact O-CB 3.45Å; Y138-N142 PolarHBondContact O-N 3.28Å; I140-N142 VanDerWaalsContact C-N 3.3Å; I140-N142 PolarHBondContact O-N 3.4Å; N142-K146 WeakPolarHBondContact O-CG 3.09Å; N142-K146 PolarHBondContact O-N 3.47Å; N142-L178 HydrophobicContact CB-CD1 4.29Å; N142-L178 HydrophobicContact CB-CD2 4.34Å; N142-Y182 VanDerWaalsContact OD1-CE2 3.29Å; N142-Y182 WeakPolarHBondContact OD1-CE2 3.25Å; N142-Y182 PolarHBondContact OD1-OH 3.01Å
143T96.4Very high93.4Very high15 Ų1548.9 Ų48.99%0.09222%0.223CC..Hα-helixtrans-65.6-51.6178.1-59.20000111.3N79 L82 D139 I140 V141 C145 K146 Y147N79-T143 HydrophobicContact CB-CG2 4.04Å; L82-T143 HydrophobicContact CD1-CG2 4.43Å; D139-T143 WeakPolarHBondContact O-CB 3.49Å; D139-T143 PolarHBondContact O-N 2.79Å; D139-T143 PolarHBondContact O-OG1 3.25Å; I140-T143 PolarHBondContact O-N 2.66Å; I140-T143 VanDerWaalsContact O-N 3.14Å; V141-T143 VanDerWaalsContact C-N 3.32Å; V141-T143 PolarHBondContact O-N 2.95Å; T143-C145 VanDerWaalsContact C-N 3.32Å; T143-C145 PolarHBondContact O-N 2.9Å; T143-K146 WeakPolarHBondContact O-CB 3.44Å; T143-K146 PolarHBondContact O-N 3.12Å; T143-K146 VanDerWaalsContact O-N 3.17Å; T143-Y147 HydrophobicContact CG2-CD2 4.49Å; T143-Y147 HydrophobicContact CG2-CE2 4.36Å; T143-Y147 WeakPolarHBondContact O-CD2 3.39Å; T143-Y147 PolarHBondContact O-N 3.16Å
144I96.4Very high93Very high4 Ų451.9 Ų51.92%0.02124%0.239CC..Hα-helixtrans-59.1-44.3178.7-65.2169000110.5V70 V78 L82 L129 A132 I140 V141 K146 Y147 H148V70-I144 HydrophobicContact CG2-CD1 3.8Å; V78-I144 HydrophobicContact CG1-CG1 4.04Å; L82-I144 HydrophobicContact CD1-CG1 4.13Å; L129-I144 HydrophobicContact CB-CG2 4.14Å; L129-I144 HydrophobicContact CD1-CB 4.12Å; L129-I144 HydrophobicContact CD1-CG2 3.95Å; L129-I144 HydrophobicContact CG-CG2 4.49Å; A132-I144 HydrophobicContact CB-CD1 4.2Å; I140-I144 HydrophobicContact CG2-CD1 3.79Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.44Å; V141-I144 PolarHBondContact O-N 3.16Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.26Å; I144-Y147 PolarHBondContact O-N 2.87Å; I144-Y147 VanDerWaalsContact O-N 3.14Å; I144-H148 PolarHBondContact O-N 3.33Å
145C95.9Very high92.8Very high3 Ų353.3 Ų53.32%0.0225%0.251CS..Hα-helixtrans-66.3-26.2-179.1-67.70000113.8V141 T143 Y182V141-C145 WeakPolarHBondContact O-CB 3.37Å; V141-C145 PolarHBondContact O-N 3.08Å; V141-C145 PolarHBondContact O-SG 2.92Å; T143-C145 VanDerWaalsContact C-N 3.32Å; T143-C145 PolarHBondContact O-N 2.9Å; C145-Y182 HydrophobicContact CB-CD1 3.84Å; C145-Y182 HydrophobicContact CB-CD2 3.49Å; C145-Y182 VanDerWaalsContact CB-CD2 3.49Å; C145-Y182 HydrophobicContact CB-CE1 4.22Å; C145-Y182 HydrophobicContact CB-CE2 3.89Å; C145-Y182 HydrophobicContact CB-CG 3.47Å; C145-Y182 VanDerWaalsContact CB-CG 3.47Å
146K94.3Very high92.5Very high138 Ų13850.7 Ų50.760%0.624%0.237SC*.Hα-helixtrans-67.8-37.2172.9-75.9173-178.4178.30112.3N142 T143 I144 Y182N142-K146 WeakPolarHBondContact O-CG 3.09Å; N142-K146 PolarHBondContact O-N 3.47Å; T143-K146 WeakPolarHBondContact O-CB 3.44Å; T143-K146 PolarHBondContact O-N 3.12Å; T143-K146 VanDerWaalsContact O-N 3.17Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.26Å; K146-Y182 WeakPolarHBondContact CE-OH 3.38Å; K146-Y182 HydrophobicContact CG-CE1 3.94Å; K146-Y182 VanDerWaalsContact CG-OH 3.31Å; K146-Y182 WeakPolarHBondContact CG-OH 3.36Å
147Y93.4Very high91.8Very high68 Ų6851.4 Ų51.427%0.26724%0.24SC..Hα-helixtrans-80.3-44.7176.5-78.8-88.2000111.8N79 L82 H83 F114 T143 I144N79-Y147 WeakPolarHBondContact OD1-CE2 3.36Å; N79-Y147 PolarHBondContact OD1-OH 3.14Å; N79-Y147 VanDerWaalsContact OD1-OH 3.06Å; L82-Y147 HydrophobicContact CB-CD1 4.05Å; L82-Y147 HydrophobicContact CB-CD2 3.91Å; L82-Y147 HydrophobicContact CB-CE1 4.13Å; L82-Y147 HydrophobicContact CB-CE2 3.99Å; L82-Y147 HydrophobicContact CB-CG 3.95Å; L82-Y147 HydrophobicContact CD1-CD2 3.73Å; L82-Y147 HydrophobicContact CD1-CE2 4.3Å; L82-Y147 HydrophobicContact CD1-CG 4.14Å; L82-Y147 HydrophobicContact CG-CD2 4.44Å; H83-Y147 WeakPolarHBondContact CB-OH 3.45Å; F114-Y147 HydrophobicContact CE1-CD1 4.33Å; F114-Y147 AromaticContact CZ-CD1 3.91Å; F114-Y147 HydrophobicContact CZ-CD1 3.91Å; F114-Y147 HydrophobicContact CZ-CG 4.31Å; T143-Y147 HydrophobicContact CG2-CD2 4.49Å; T143-Y147 HydrophobicContact CG2-CE2 4.36Å; T143-Y147 WeakPolarHBondContact O-CD2 3.39Å; T143-Y147 PolarHBondContact O-N 3.16Å; I144-Y147 PolarHBondContact O-N 2.87Å; I144-Y147 VanDerWaalsContact O-N 3.14Å
148H93.1Very high90.9Very high5 Ų553.3 Ų53.32%0.02325%0.248CC..  trans-149100.3-172.6-174.5-97.9000112.3D115 C118 I144 S151D115-H148 IonicContact OD1-CD2 2.57Å; D115-H148 PolarHBondContact OD1-CD2 2.96Å; D115-H148 VanDerWaalsContact OD1-CD2 3.22Å; D115-H148 IonicContact OD1-NE2 2.83Å; C118-H148 HydrophobicContact CB-CB 3.78Å; C118-H148 VanDerWaalsContact CB-CG 3.44Å; C118-H148 WeakPolarHBondContact CB-ND1 3.39Å; I144-H148 PolarHBondContact O-N 3.33Å; H148-S151 PolarHBondContact CE1-N 2.93Å; H148-S151 PolarHBondContact CE1-OG 3.22Å; H148-S151 PolarHBondContact ND1-OG 3.43Å
149N90.1Very high90.1Very high45 Ų4551.9 Ų51.924%0.24126%0.259CS..  trans-89.7-10.6-179.964.63000114.3S151 I152 Y182N149-S151 VanDerWaalsContact C-N 3.26Å; N149-S151 PolarHBondContact O-N 2.99Å; N149-I152 HydrophobicContact CB-CD1 4Å; N149-I152 WeakPolarHBondContact O-CB 3.44Å; N149-I152 WeakPolarHBondContact O-CD1 3.4Å; N149-I152 VanDerWaalsContact O-CG1 3.23Å; N149-I152 WeakPolarHBondContact O-CG1 3.49Å; N149-I152 PolarHBondContact O-N 3.02Å; N149-Y182 PolarHBondContact ND2-O 3.33Å
150K87.5Confident89.5Confident116 Ų11649.1 Ų49.150%0.50424%0.241SC..G310 helixtrans-65.8-31.1-178.2-57.5173.4-177.5167.90111.8D115 I152 R153D115-K150 IonicContact OD1-NZ 3.23Å; D115-K150 IonicContact OD2-NZ 2.68Å; D115-K150 PolarHBondContact OD2-NZ 3.28Å; K150-I152 PolarHBondContact O-N 3.43Å; K150-I152 VanDerWaalsContact O-N 3.09Å; K150-R153 PolarHBondContact O-N 3.23Å; K150-R153 VanDerWaalsContact O-N 3.12Å
151S86.4Confident89.2Confident0 Ų050.7 Ų50.70%025%0.25CS..G310 helixtrans-60.6-19.4177.2-57.60000113.7C118 H148 N149 R153 L154C118-S151 PolarHBondContact O-OG 3.37Å; C118-S151 VanDerWaalsContact O-OG 3.14Å; H148-S151 PolarHBondContact CE1-N 2.93Å; H148-S151 PolarHBondContact CE1-OG 3.22Å; H148-S151 PolarHBondContact ND1-OG 3.43Å; N149-S151 VanDerWaalsContact C-N 3.26Å; N149-S151 PolarHBondContact O-N 2.99Å; S151-R153 PolarHBondContact O-N 2.87Å; S151-L154 PolarHBondContact O-N 3.04Å
152I91.4Very high89Confident0 Ų050.7 Ų50.70%025%0.25CS..G310 helixtrans-59.8-33.9176.6-61.6170.6000111.2L129 N149 K150 I163 L179L129-I152 HydrophobicContact CD2-CB 4.47Å; L129-I152 HydrophobicContact CD2-CG1 3.69Å; N149-I152 HydrophobicContact CB-CD1 4Å; N149-I152 WeakPolarHBondContact O-CB 3.44Å; N149-I152 WeakPolarHBondContact O-CD1 3.4Å; N149-I152 VanDerWaalsContact O-CG1 3.23Å; N149-I152 WeakPolarHBondContact O-CG1 3.49Å; N149-I152 PolarHBondContact O-N 3.02Å; K150-I152 PolarHBondContact O-N 3.43Å; K150-I152 VanDerWaalsContact O-N 3.09Å; I152-I163 HydrophobicContact CG2-CD1 3.66Å; I152-I163 HydrophobicContact CG2-CG1 3.7Å; I152-L179 HydrophobicContact CG1-CD2 4.17Å; I152-L179 HydrophobicContact CG2-CB 4.4Å; I152-L179 HydrophobicContact CG2-CD2 4.47Å
153R88Confident88.8Confident142 Ų14250.9 Ų50.954%0.53625%0.251SS..G310 helixtrans-96.3-7.1-175.2-61.2-175.5-176-1772.1113.4K150 S151 T161 S183K150-R153 PolarHBondContact O-N 3.23Å; K150-R153 VanDerWaalsContact O-N 3.12Å; S151-R153 PolarHBondContact O-N 2.87Å; R153-T161 WeakPolarHBondContact O-CG2 3.49Å; R153-S183 PolarHBondContact NH2-O 2.91Å
154L86.5Confident88.5Confident64 Ų6454.6 Ų54.634%0.33526%0.264SS..  trans-76.4127.7179.9-66.3179.3000109.6V119 T127 H130 S151V119-L154 HydrophobicContact CB-CD1 3.73Å; V119-L154 HydrophobicContact CG1-CD1 3.38Å; T127-L154 HydrophobicContact CG2-CD1 4.42Å; H130-L154 PolarHBondContact CE1-O 3.42Å; H130-L154 PolarHBondContact NE2-O 3.44Å; H130-L154 VanDerWaalsContact NE2-O 3.11Å; S151-L154 PolarHBondContact O-N 3.04Å
155P85.3Confident88Confident76 Ų7654.6 Ų54.649%0.49426%0.264SS..  trans-76.9141.9169.430.2-31000110.3Y160P155-Y160 CarbonylContact C-O 3.55Å; P155-Y160 WeakPolarHBondContact CA-O 3.29Å
156N84.5Confident87.8Confident12 Ų1254.5 Ų54.56%0.06426%0.263CS..  trans-72.9-176.1165.8705.1000111.8G125 N126 H158 G159 Y160G125-N156 WeakPolarHBondContact O-CA 3.27Å; G125-N156 VanDerWaalsContact O-CB 3.22Å; G125-N156 WeakPolarHBondContact O-CB 3.38Å; N126-N156 WeakPolarHBondContact OD1-CB 3.33Å; N126-N156 PolarHBondContact OD1-ND2 3.19Å; N156-H158 PolarHBondContact ND2-ND1 3.24Å; N156-H158 PolarHBondContact O-N 3.4Å; N156-H158 WeakPolarHBondContact OD1-CA 3.35Å; N156-H158 VanDerWaalsContact OD1-CB 3.31Å; N156-H158 WeakPolarHBondContact OD1-CB 3.43Å; N156-H158 PolarHBondContact OD1-N 2.76Å; N156-G159 PolarHBondContact O-N 2.83Å; N156-G159 PolarHBondContact OD1-N 2.87Å; N156-Y160 PolarHBondContact N-O 3.03Å; N156-Y160 PolarHBondContact OD1-N 3.14Å; N156-Y160 PolarHBondContact OD1-O 2.94Å
157K80.6Confident87.3Confident120 Ų12054.2 Ų54.252%0.52226%0.262SS..THydrogen-bonded Turntrans-58.4-16.4179.485.3-175.8169.8-174.70113.9K123 N124K123-K157 PolarHBondContact O-NZ 3.49Å; N124-K157 VanDerWaalsContact CA-CE 3.41Å; N124-K157 WeakPolarHBondContact O-CB 3.4Å; N124-K157 WeakPolarHBondContact O-CD 3.24Å; N124-K157 WeakPolarHBondContact O-CG 3.42Å; N124-K157 PolarHBondContact O-N 3.2Å; N124-K157 WeakPolarHBondContact OD1-CE 3.3Å; N124-K157 PolarHBondContact OD1-NZ 3.36Å
158H75.9Confident86.5Confident69 Ų6954.5 Ų54.532%0.31927%0.268SS..THydrogen-bonded Turntrans-96.33.3179.1-46.9103.2000113.1N156 Y160N156-H158 PolarHBondContact ND2-ND1 3.24Å; N156-H158 PolarHBondContact O-N 3.4Å; N156-H158 WeakPolarHBondContact OD1-CA 3.35Å; N156-H158 VanDerWaalsContact OD1-CB 3.31Å; N156-H158 WeakPolarHBondContact OD1-CB 3.43Å; N156-H158 PolarHBondContact OD1-N 2.76Å; H158-Y160 VanDerWaalsContact C-N 3.34Å; H158-Y160 HydrophobicContact CB-CD2 3.68Å; H158-Y160 HydrophobicContact CB-CE2 3.63Å; H158-Y160 HydrophobicContact CB-CG 4.31Å
159G79.3Confident85.8Confident54 Ų5455.4 Ų55.456%0.55727%0.274SS*.SBendtrans82.17.1-177.300000114.5N156N156-G159 PolarHBondContact O-N 2.83Å; N156-G159 PolarHBondContact OD1-N 2.87Å
160Y83.8Confident85.3Confident55 Ų5554.6 Ų54.622%0.21627%0.27CS..  trans-96.9127.9-173.9-54.7-34.9000112.1H130 P155 N156 H158 Y164 L165 M474H130-Y160 PolarHBondContact NE2-O 3.4Å; H130-Y160 VanDerWaalsContact NE2-O 3.12Å; P155-Y160 CarbonylContact C-O 3.55Å; P155-Y160 WeakPolarHBondContact CA-O 3.29Å; N156-Y160 PolarHBondContact N-O 3.03Å; N156-Y160 PolarHBondContact OD1-N 3.14Å; N156-Y160 PolarHBondContact OD1-O 2.94Å; H158-Y160 VanDerWaalsContact C-N 3.34Å; H158-Y160 HydrophobicContact CB-CD2 3.68Å; H158-Y160 HydrophobicContact CB-CE2 3.63Å; H158-Y160 HydrophobicContact CB-CG 4.31Å; Y160-Y164 AromaticContact CD1-CD1 3.38Å; Y160-Y164 HydrophobicContact CD1-CD1 3.38Å; Y160-Y164 AromaticContact CD1-CE1 3.27Å; Y160-Y164 HydrophobicContact CD1-CE1 3.27Å; Y160-Y164 HydrophobicContact CD1-CE2 4.49Å; Y160-Y164 HydrophobicContact CD1-CG 4.08Å; Y160-Y164 AromaticContact CD1-CZ 3.87Å; Y160-Y164 HydrophobicContact CD2-CE1 4.47Å; Y160-Y164 HydrophobicContact CE1-CD1 4.08Å; Y160-Y164 AromaticContact CE1-CE1 3.45Å; Y160-Y164 HydrophobicContact CE1-CE1 3.45Å; Y160-Y164 VanDerWaalsContact CE1-CE1 3.45Å; Y160-Y164 AromaticContact CE1-CZ 3.8Å; Y160-Y164 AromaticContact CG-CD1 3.67Å; Y160-Y164 HydrophobicContact CG-CD1 3.67Å; Y160-Y164 AromaticContact CG-CE1 3.85Å; Y160-Y164 HydrophobicContact CG-CE1 3.85Å; Y160-L165 HydrophobicContact CD2-CD2 4Å; Y160-L165 HydrophobicContact CG-CD2 4.24Å; Y160-M474 HydrophobicContact CD2-CE 3.99Å; Y160-M474 HydrophobicContact CE2-CE 3.59Å
161T92Very high85.3Confident39 Ų3955.4 Ų55.424%0.23927%0.273CS..  trans-84.516416964.20000111.1R153 I163 Y164 L165R153-T161 WeakPolarHBondContact O-CG2 3.49Å; T161-I163 PolarHBondContact O-N 3.47Å; T161-Y164 WeakPolarHBondContact O-CB 3.49Å; T161-Y164 PolarHBondContact O-N 2.76Å; T161-Y164 PolarHBondContact OG1-N 2.85Å; T161-L165 PolarHBondContact O-N 3.29Å
162C93.1Very high85.4Confident0 Ų056.1 Ų56.10%028%0.277CS..Hα-helixtrans-54.8-38.6174-69.40000112.6H130 V133 L165 A166 L179H130-C162 PolarHBondContact NE2-N 2.93Å; V133-C162 HydrophobicContact CG2-CB 4.18Å; C162-L165 PolarHBondContact O-N 2.58Å; C162-A166 WeakPolarHBondContact O-CB 3.41Å; C162-A166 PolarHBondContact O-N 3.14Å; C162-L179 HydrophobicContact CB-CD1 4.04Å; C162-L179 HydrophobicContact CB-CD2 4.23Å; C162-L179 WeakPolarHBondContact O-CD1 3.12Å
163I91.6Very high85.3Confident44 Ų4461.8 Ų61.823%0.22631%0.311CS..Hα-helixtrans-67.4-40.8176.7-65.2173.5000110.9I152 T161 A166 K167 L179 V180I152-I163 HydrophobicContact CG2-CD1 3.66Å; I152-I163 HydrophobicContact CG2-CG1 3.7Å; T161-I163 PolarHBondContact O-N 3.47Å; I163-A166 PolarHBondContact O-N 2.86Å; I163-K167 VanDerWaalsContact O-CB 3.29Å; I163-K167 WeakPolarHBondContact O-CB 3.37Å; I163-K167 PolarHBondContact O-N 3.44Å; I163-L179 HydrophobicContact CG1-CB 3.95Å; I163-L179 HydrophobicContact CG1-CD1 4.41Å; I163-V180 HydrophobicContact CD1-CG2 4.49Å
164Y88.6Confident85.6Confident93 Ų9362.7 Ų62.737%0.36532%0.319SS..Hα-helixtrans-61.2-46.3176-176.2-81.6000110.9Y160 T161 K167 N168 V169Y160-Y164 AromaticContact CD1-CD1 3.38Å; Y160-Y164 HydrophobicContact CD1-CD1 3.38Å; Y160-Y164 AromaticContact CD1-CE1 3.27Å; Y160-Y164 HydrophobicContact CD1-CE1 3.27Å; Y160-Y164 HydrophobicContact CD1-CE2 4.49Å; Y160-Y164 HydrophobicContact CD1-CG 4.08Å; Y160-Y164 AromaticContact CD1-CZ 3.87Å; Y160-Y164 HydrophobicContact CD2-CE1 4.47Å; Y160-Y164 HydrophobicContact CE1-CD1 4.08Å; Y160-Y164 AromaticContact CE1-CE1 3.45Å; Y160-Y164 HydrophobicContact CE1-CE1 3.45Å; Y160-Y164 VanDerWaalsContact CE1-CE1 3.45Å; Y160-Y164 AromaticContact CE1-CZ 3.8Å; Y160-Y164 AromaticContact CG-CD1 3.67Å; Y160-Y164 HydrophobicContact CG-CD1 3.67Å; Y160-Y164 AromaticContact CG-CE1 3.85Å; Y160-Y164 HydrophobicContact CG-CE1 3.85Å; T161-Y164 WeakPolarHBondContact O-CB 3.49Å; T161-Y164 PolarHBondContact O-N 2.76Å; T161-Y164 PolarHBondContact OG1-N 2.85Å; Y164-K167 PolarHBondContact O-N 2.89Å; Y164-N168 HydrophobicContact CD1-CB 4.4Å; Y164-N168 WeakPolarHBondContact CD2-ND2 3.34Å; Y164-N168 HydrophobicContact CE1-CB 4.11Å; Y164-N168 HydrophobicContact CE2-CB 4.39Å; Y164-N168 WeakPolarHBondContact CE2-ND2 3.42Å; Y164-N168 WeakPolarHBondContact O-CB 3.23Å; Y164-N168 PolarHBondContact O-N 3.4Å; Y164-V169 HydrophobicContact CD1-CG2 4.24Å; Y164-V169 HydrophobicContact CE1-CG2 4.12Å
165L87.6Confident86Confident4 Ų459.6 Ų59.62%0.02130%0.303CS..Iπ-helixtrans-58.1-52.2176.1-66.7-177.4000111.1H130 V133 M134 Y160 T161 C162 K167 V169 L170 M474H130-L165 HydrophobicContact CB-CD1 4.3Å; V133-L165 HydrophobicContact CG1-CB 4.2Å; M134-L165 HydrophobicContact CG-CD1 3.85Å; M134-L165 HydrophobicContact SD-CD1 4.19Å; Y160-L165 HydrophobicContact CD2-CD2 4Å; Y160-L165 HydrophobicContact CG-CD2 4.24Å; T161-L165 PolarHBondContact O-N 3.29Å; C162-L165 PolarHBondContact O-N 2.58Å; L165-K167 PolarHBondContact O-N 3.07Å; L165-V169 HydrophobicContact CD2-CB 4.32Å; L165-V169 HydrophobicContact CD2-CG2 3.71Å; L165-V169 WeakPolarHBondContact O-CA 3.47Å; L165-V169 VanDerWaalsContact O-CB 3.23Å; L165-V169 WeakPolarHBondContact O-CB 3.37Å; L165-V169 PolarHBondContact O-N 3.29Å; L165-V169 VanDerWaalsContact O-N 3.07Å; L165-L170 PolarHBondContact O-N 3.13Å; L165-M474 HydrophobicContact CD2-CE 4.38Å
166A91.1Very high86.3Confident0 Ų057.4 Ų57.40%029%0.288CS..Iπ-helixtrans-59.5-43.9-18000000112.9V133 C162 I163 K171 D172 M175 V176 L179V133-A166 HydrophobicContact CG1-CB 4.16Å; C162-A166 WeakPolarHBondContact O-CB 3.41Å; C162-A166 PolarHBondContact O-N 3.14Å; I163-A166 PolarHBondContact O-N 2.86Å; A166-K171 PolarHBondContact O-N 2.96Å; A166-K171 VanDerWaalsContact O-N 3.15Å; A166-D172 PolarHBondContact O-N 3.22Å; A166-M175 HydrophobicContact CB-CB 4.05Å; A166-M175 HydrophobicContact CB-CG 3.8Å; A166-V176 HydrophobicContact CB-CG2 3.63Å; A166-L179 HydrophobicContact CB-CD1 3.81Å
167K83.2Confident86.7Confident133 Ų13360.8 Ų60.858%0.57831%0.312SS*.Iπ-helixtrans-77.1-52.2-175.2-174.8-178.3176.3-179.90113.1I163 Y164 L165 K171 V176I163-K167 VanDerWaalsContact O-CB 3.29Å; I163-K167 WeakPolarHBondContact O-CB 3.37Å; I163-K167 PolarHBondContact O-N 3.44Å; Y164-K167 PolarHBondContact O-N 2.89Å; L165-K167 PolarHBondContact O-N 3.07Å; K167-K171 WeakPolarHBondContact O-CA 3.22Å; K167-V176 HydrophobicContact CB-CG2 3.73Å
168N77.3Confident87.4Confident74 Ų7456.6 Ų56.640%0.39630%0.296SS..Iπ-helixtrans-97.5-33.5-166.1-61.9-37.5000112.2Y164Y164-N168 HydrophobicContact CD1-CB 4.4Å; Y164-N168 WeakPolarHBondContact CD2-ND2 3.34Å; Y164-N168 HydrophobicContact CE1-CB 4.11Å; Y164-N168 HydrophobicContact CE2-CB 4.39Å; Y164-N168 WeakPolarHBondContact CE2-ND2 3.42Å; Y164-N168 WeakPolarHBondContact O-CB 3.23Å; Y164-N168 PolarHBondContact O-N 3.4Å
169V78.8Confident88.3Confident23 Ų2353.3 Ų53.314%0.13928%0.28CS..Iπ-helixtrans-89.4-53.9-175.9-175.70000110.6Y164 L165 M474Y164-V169 HydrophobicContact CD1-CG2 4.24Å; Y164-V169 HydrophobicContact CE1-CG2 4.12Å; L165-V169 HydrophobicContact CD2-CB 4.32Å; L165-V169 HydrophobicContact CD2-CG2 3.71Å; L165-V169 WeakPolarHBondContact O-CA 3.47Å; L165-V169 VanDerWaalsContact O-CB 3.23Å; L165-V169 WeakPolarHBondContact O-CB 3.37Å; L165-V169 PolarHBondContact O-N 3.29Å; L165-V169 VanDerWaalsContact O-N 3.07Å; V169-M474 HydrophobicContact CB-CE 4.17Å; V169-M474 HydrophobicContact CB-SD 3.9Å; V169-M474 HydrophobicContact CG1-CB 4.49Å; V169-M474 HydrophobicContact CG1-CE 3.7Å; V169-M474 HydrophobicContact CG1-SD 3.46Å; V169-M474 WeakPolarHBondContact CG1-SD 3.2Å; V169-M474 HydrophobicContact CG2-CE 3.4Å; V169-M474 HydrophobicContact CG2-SD 3.33Å; V169-M474 WeakPolarHBondContact CG2-SD 3.39Å
170L80Confident88.9Confident29 Ų2953.6 Ų53.615%0.15227%0.271CS..SBendtrans-87.7-19.4-176-58.1175.3000113V133 K136 L165 D172V133-L170 HydrophobicContact CG1-CD1 3.94Å; V133-L170 WeakPolarHBondContact O-CD1 3.46Å; K136-L170 HydrophobicContact CG-CD1 4.41Å; L165-L170 PolarHBondContact O-N 3.13Å; L170-D172 HydrophobicContact CB-CB 4.04Å; L170-D172 PolarHBondContact O-N 2.9Å
171K86.6Confident89.4Confident132 Ų13257.4 Ų57.457%0.57429%0.289SS*.  trans49.137.5-171.6-59.9-177.2179.5-178.20112.3A166 K167A166-K171 PolarHBondContact O-N 2.96Å; A166-K171 VanDerWaalsContact O-N 3.15Å; K167-K171 WeakPolarHBondContact O-CA 3.22Å
172D88.1Confident89.4Confident16 Ų1657 Ų579%0.08628%0.283CS..  trans-99.195.1-174.9-173.4-22000110.5Y138 A166 L170 K174 M175 V176Y138-D172 PolarHBondContact OH-OD1 3.36Å; Y138-D172 VanDerWaalsContact OH-OD1 3.14Å; Y138-D172 PolarHBondContact OH-OD2 3.49Å; A166-D172 PolarHBondContact O-N 3.22Å; L170-D172 HydrophobicContact CB-CB 4.04Å; L170-D172 PolarHBondContact O-N 2.9Å; D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 PolarHBondContact OD1-N 2.86Å; D172-K174 VanDerWaalsContact OD1-N 3.08Å; D172-M175 HydrophobicContact CB-CB 3.88Å; D172-M175 VanDerWaalsContact CG-CB 3.47Å; D172-M175 PolarHBondContact O-N 3.38Å; D172-M175 PolarHBondContact OD1-N 3.22Å; D172-V176 WeakPolarHBondContact O-CG2 3.5Å; D172-V176 PolarHBondContact O-N 2.89Å
173V89.9Confident88.9Confident119 Ų11957.8 Ų57.872%0.72129%0.289SS*.Hα-helixtrans-61.3-35.7-178.1-176.40000111.9V176 S177V173-V176 PolarHBondContact O-N 3.49Å; V173-S177 PolarHBondContact O-N 3.5Å
174K93.9Very high87.7Confident160 Ų16060 Ų6070%0.69631%0.305SS*.Hα-helixtrans-67.3-43.3178.9-68.8-176.8-179.21790110.5Y138 D172 S177 L178Y138-K174 HydrophobicContact CE1-CB 3.82Å; D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 PolarHBondContact OD1-N 2.86Å; D172-K174 VanDerWaalsContact OD1-N 3.08Å; K174-S177 PolarHBondContact O-N 3.48Å; K174-L178 PolarHBondContact O-N 3.21Å
175M95.5Very high86.3Confident0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-66.3-40.2177.9-170.861.377.700111.5V133 Y138 V141 A166 D172 S177 L178 L179V133-M175 HydrophobicContact CG1-CG 4.13Å; V133-M175 HydrophobicContact CG2-CG 4.5Å; V133-M175 HydrophobicContact CG2-SD 4.34Å; Y138-M175 HydrophobicContact CD1-CE 3.52Å; Y138-M175 HydrophobicContact CD1-SD 4.08Å; Y138-M175 HydrophobicContact CE1-CB 3.95Å; Y138-M175 HydrophobicContact CE1-CE 3.74Å; Y138-M175 HydrophobicContact CE1-SD 4.37Å; Y138-M175 HydrophobicContact CG-CE 3.98Å; V141-M175 HydrophobicContact CB-SD 4.11Å; V141-M175 HydrophobicContact CG1-SD 3.83Å; V141-M175 HydrophobicContact CG2-CE 4Å; V141-M175 HydrophobicContact CG2-SD 3.92Å; A166-M175 HydrophobicContact CB-CB 4.05Å; A166-M175 HydrophobicContact CB-CG 3.8Å; D172-M175 HydrophobicContact CB-CB 3.88Å; D172-M175 VanDerWaalsContact CG-CB 3.47Å; D172-M175 PolarHBondContact O-N 3.38Å; D172-M175 PolarHBondContact OD1-N 3.22Å; M175-S177 PolarHBondContact O-N 2.92Å; M175-L178 PolarHBondContact O-N 3.14Å; M175-L178 HydrophobicContact SD-CD2 4.14Å; M175-L179 HydrophobicContact CG-CD1 4.13Å; M175-L179 WeakPolarHBondContact O-CG 3.47Å; M175-L179 PolarHBondContact O-N 2.93Å
176V91.5Very high84.1Confident30 Ų3061.9 Ų61.918%0.18233%0.332CS..Hα-helixtrans-58.9-481731740000110.6A166 K167 D172 V173 L178 L179 V180A166-V176 HydrophobicContact CB-CG2 3.63Å; K167-V176 HydrophobicContact CB-CG2 3.73Å; D172-V176 WeakPolarHBondContact O-CG2 3.5Å; D172-V176 PolarHBondContact O-N 2.89Å; V173-V176 PolarHBondContact O-N 3.49Å; V176-L178 VanDerWaalsContact C-N 3.3Å; V176-L178 PolarHBondContact O-N 2.87Å; V176-L179 PolarHBondContact O-N 3.15Å; V176-V180 HydrophobicContact CG1-CG2 4.11Å; V176-V180 WeakPolarHBondContact O-CB 3.41Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.39Å; V176-V180 PolarHBondContact O-N 3.44Å
177S93.3Very high81.3Confident82 Ų8269.2 Ų69.257%0.57337%0.369SS*.Hα-helixtrans-59.4-40.7178.2-174.30000112.2V173 K174 M175 K181V173-S177 PolarHBondContact O-N 3.5Å; K174-S177 PolarHBondContact O-N 3.48Å; M175-S177 PolarHBondContact O-N 2.92Å; S177-K181 PolarHBondContact O-N 3.46Å; S177-K181 VanDerWaalsContact O-N 3.14Å
178L94.9Very high78.5Confident32 Ų3268.5 Ų68.517%0.16838%0.376CS..Hα-helixtrans-63.3-48.1177.2-179.363.6000111.6Y138 V141 N142 K174 M175 V176 K181 Y182Y138-L178 HydrophobicContact CD1-CD2 4.44Å; Y138-L178 WeakPolarHBondContact O-CD2 3.1Å; V141-L178 HydrophobicContact CB-CD2 4.1Å; V141-L178 HydrophobicContact CG1-CD2 3.73Å; V141-L178 HydrophobicContact CG1-CG 4.34Å; N142-L178 HydrophobicContact CB-CD1 4.29Å; N142-L178 HydrophobicContact CB-CD2 4.34Å; K174-L178 PolarHBondContact O-N 3.21Å; M175-L178 PolarHBondContact O-N 3.14Å; M175-L178 HydrophobicContact SD-CD2 4.14Å; V176-L178 VanDerWaalsContact C-N 3.3Å; V176-L178 PolarHBondContact O-N 2.87Å; L178-K181 WeakPolarHBondContact O-CB 3.34Å; L178-K181 PolarHBondContact O-N 3.41Å; L178-Y182 HydrophobicContact CD1-CD2 4.42Å; L178-Y182 HydrophobicContact CD1-CE2 3.96Å; L178-Y182 WeakPolarHBondContact O-CD2 3.23Å
179L95Very high76.2Confident0 Ų070.3 Ų70.30%040%0.395CS..Hα-helixtrans-67.2-39.4-179.4-68.5168.4000112.3V133 V141 I152 C162 I163 A166 M175 V176 K181 Y182 S183V133-L179 HydrophobicContact CG1-CD1 4.42Å; V133-L179 HydrophobicContact CG2-CD1 3.97Å; V133-L179 HydrophobicContact CG2-CD2 4.12Å; V141-L179 HydrophobicContact CG1-CD2 3.8Å; V141-L179 HydrophobicContact CG1-CG 4.46Å; I152-L179 HydrophobicContact CG1-CD2 4.17Å; I152-L179 HydrophobicContact CG2-CB 4.4Å; I152-L179 HydrophobicContact CG2-CD2 4.47Å; C162-L179 HydrophobicContact CB-CD1 4.04Å; C162-L179 HydrophobicContact CB-CD2 4.23Å; C162-L179 WeakPolarHBondContact O-CD1 3.12Å; I163-L179 HydrophobicContact CG1-CB 3.95Å; I163-L179 HydrophobicContact CG1-CD1 4.41Å; A166-L179 HydrophobicContact CB-CD1 3.81Å; M175-L179 HydrophobicContact CG-CD1 4.13Å; M175-L179 WeakPolarHBondContact O-CG 3.47Å; M175-L179 PolarHBondContact O-N 2.93Å; V176-L179 PolarHBondContact O-N 3.15Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.87Å; L179-Y182 PolarHBondContact O-N 3.34Å; L179-S183 WeakPolarHBondContact O-CB 3.18Å; L179-S183 PolarHBondContact O-N 3.36Å
180V91.6Very high73.6Confident60 Ų6072.6 Ų72.636%0.36442%0.423SS..Hα-helixtrans-64.9-36.3177.4170.60000111.7I163 V176 Y182 S183 T184I163-V180 HydrophobicContact CD1-CG2 4.49Å; V176-V180 HydrophobicContact CG1-CG2 4.11Å; V176-V180 WeakPolarHBondContact O-CB 3.41Å; V176-V180 VanDerWaalsContact O-CG2 3.24Å; V176-V180 WeakPolarHBondContact O-CG2 3.39Å; V176-V180 PolarHBondContact O-N 3.44Å; V180-Y182 VanDerWaalsContact C-N 3.3Å; V180-Y182 PolarHBondContact O-N 2.87Å; V180-S183 PolarHBondContact O-N 3.41Å; V180-S183 PolarHBondContact O-OG 2.81Å; V180-T184 HydrophobicContact CG1-CG2 4.48Å; V180-T184 PolarHBondContact O-N 3.35Å; V180-T184 PolarHBondContact O-OG1 2.96Å
181K93.4Very high71.1Confident135 Ų13578.9 Ų78.959%0.58746%0.457SS*.Hα-helixtrans-56.1-44.9174.3-178.5-178.3176.4-179.30111.6S177 L178 L179 T184 S185S177-K181 PolarHBondContact O-N 3.46Å; S177-K181 VanDerWaalsContact O-N 3.14Å; L178-K181 WeakPolarHBondContact O-CB 3.34Å; L178-K181 PolarHBondContact O-N 3.41Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.87Å; K181-T184 PolarHBondContact O-OG1 2.82Å; K181-S185 PolarHBondContact O-OG 2.94Å
182Y92Very high68.2Low30 Ų3078.3 Ų78.312%0.11847%0.466CS..Hα-helixtrans-79.4-25179.1-74.6-75.7000113.8N142 C145 K146 N149 L178 L179 V180N142-Y182 VanDerWaalsContact OD1-CE2 3.29Å; N142-Y182 WeakPolarHBondContact OD1-CE2 3.25Å; N142-Y182 PolarHBondContact OD1-OH 3.01Å; C145-Y182 HydrophobicContact CB-CD1 3.84Å; C145-Y182 HydrophobicContact CB-CD2 3.49Å; C145-Y182 VanDerWaalsContact CB-CD2 3.49Å; C145-Y182 HydrophobicContact CB-CE1 4.22Å; C145-Y182 HydrophobicContact CB-CE2 3.89Å; C145-Y182 HydrophobicContact CB-CG 3.47Å; C145-Y182 VanDerWaalsContact CB-CG 3.47Å; K146-Y182 WeakPolarHBondContact CE-OH 3.38Å; K146-Y182 HydrophobicContact CG-CE1 3.94Å; K146-Y182 VanDerWaalsContact CG-OH 3.31Å; K146-Y182 WeakPolarHBondContact CG-OH 3.36Å; N149-Y182 PolarHBondContact ND2-O 3.33Å; L178-Y182 HydrophobicContact CD1-CD2 4.42Å; L178-Y182 HydrophobicContact CD1-CE2 3.96Å; L178-Y182 WeakPolarHBondContact O-CD2 3.23Å; L179-Y182 PolarHBondContact O-N 3.34Å; V180-Y182 VanDerWaalsContact C-N 3.3Å; V180-Y182 PolarHBondContact O-N 2.87Å
183S82.6Confident65.2Low18 Ų1880.3 Ų80.313%0.12649%0.491CS..Hα-helixtrans-74.5-23.7-179.785.60000114.1R153 L179 V180R153-S183 PolarHBondContact NH2-O 2.91Å; L179-S183 WeakPolarHBondContact O-CB 3.18Å; L179-S183 PolarHBondContact O-N 3.36Å; V180-S183 PolarHBondContact O-N 3.41Å; V180-S183 PolarHBondContact O-OG 2.81Å
184T67.7Low62.1Low91 Ų9183.3 Ų83.356%0.55850%0.496SS*.Hα-helixtrans-91.3-15.4179.748.90000113.2V180 K181 S186V180-T184 HydrophobicContact CG1-CG2 4.48Å; V180-T184 PolarHBondContact O-N 3.35Å; V180-T184 PolarHBondContact O-OG1 2.96Å; K181-T184 PolarHBondContact O-OG1 2.82Å; T184-S186 PolarHBondContact O-N 2.85Å; T184-S186 VanDerWaalsContact O-N 3.12Å
185S57.7Low58.9Low63 Ų6384.7 Ų84.744%0.44151%0.505SS..G310 helixtrans-72.1-2.3-175.5-58.80000114.4K181 I187K181-S185 PolarHBondContact O-OG 2.94Å; S185-I187 PolarHBondContact O-N 3.45Å
186S42Very low55.4Low73 Ų7389.4 Ų89.451%0.5154%0.538SS..G310 helixtrans-86.65.2-174.3-32.50000115.5T184T184-S186 PolarHBondContact O-N 2.85Å; T184-S186 VanDerWaalsContact O-N 3.12Å
187I32.3Very low52.1Low154 Ų15497.8 Ų97.879%0.7957%0.572SS**G310 helixtrans-98-9.9-176.5-64.9175.4000113S185S185-I187 PolarHBondContact O-N 3.45Å
188T25.5Very low48.8Very low118 Ų118103.3 Ų103.372%0.72459%0.586SS**SBendtrans-148.793.5179.854.70000112.3
189S29Very low45.4Very low112 Ų112110 Ų11078%0.78362%0.617SS**  trans169.2112.2138.156.20000110.9
190G24.1Very low42Very low71 Ų71116.8 Ų116.873%0.73265%0.653SS**  trans-63.8157.5145.700000110
191N25.7Very low38.7Very low160 Ų160120.8 Ų120.886%0.85667%0.672SS**  trans-8.7138.2174.5-84-14.9000117.5
192P27.6Very low35.4Very low120 Ų120119.2 Ų119.278%0.77968%0.678SS**  -129.4119.311428.7-15000111.3
193G23.3Very low32.3Very low58 Ų58124.8 Ų124.860%0.59871%0.708SS**  trans-69.3158.9158.600000110.7
194H25.2Very low29.7Very low182 Ų182132.9 Ų132.984%0.84374%0.741SS**  trans60.2104.2171.7-72.2-77.8000116.8
195H27.1Very low27.5Very low190 Ų190134.3 Ų134.388%0.8876%0.755SS**  trans-142.3107.2134.3-96.5-65.6000111.1
196S23Very low26Very low98 Ų98136 Ų13669%0.68577%0.773SS**  trans-57.6138.1160.549.70000111K198S196-K198 PolarHBondContact O-N 3.3Å
197F21.5Very low25.1Very low206 Ų206144 Ų14490%0.90479%0.792SS**  trans-48.4117.8159.8-95.1-100.5000110.8
198K24.4Very low24.8Very low199 Ų199143 Ų14387%0.86579%0.793SS**  trans-140.7123.6147.1-85.1-166.8177178.10109.9S196S196-K198 PolarHBondContact O-N 3.3Å
199Q23.1Very low24.7Very low173 Ų173142.3 Ų142.381%0.80879%0.793SS**  trans-60.8136.8163.8-70.3164.9-37.100110
200N23.1Very low24.4Very low142 Ų142142.9 Ų142.976%0.75980%0.795SS**  171.5123.9111.7-90.8-18.1000112.6
201N23.2Very low24.3Very low144 Ų144146.9 Ų146.977%0.7780%0.796SS**  trans32.1121.7137.8-68.9-11.4000122.4
202S22.4Very low24.2Very low101 Ų101145.6 Ų145.671%0.70679%0.79SS**  trans65.2122.4130.3710000120
203I28.2Very low24Very low148 Ų148148.2 Ų148.276%0.75979%0.792SS**  178.3122.6108.6-86.4156.3000110.8
204K27.3Very low24.2Very low188 Ų188154 Ų15482%0.81781%0.808SS**  trans47112.2143.6-60.5178.1-178.9178.10122.3
205S22.6Very low24Very low120 Ų120152.4 Ų152.484%0.83981%0.806SS**  46.5118.1112.6155.50000120.7
206A26.1Very low24Very low100 Ų100152.1 Ų152.183%0.82680%0.802SS**  -160.1141.912700000112
207R22.2Very low24.2Very low241 Ų241156.1 Ų156.191%0.90981%0.807SS**  trans-96.9176-179.7-107.4179.1161.8124.7-6.2111.2
208V25.7Very low24.5Very low132 Ų132152.5 Ų152.580%0.880%0.797SS**  trans97.6106.5158.8-169.10000113.6
209S23Very low24.6Very low104 Ų104149.3 Ų149.373%0.72779%0.789SS**  73.9106.165.2173.20000116
210C23.3Very low24.8Very low123 Ų123149.5 Ų149.583%0.83179%0.787SS**  trans169.8160.7136.7-95.10000108.4
211M22.9Very low25.1Very low155 Ų155151.2 Ų151.276%0.76479%0.788SS**  cis-177.6152.1-34.5-167.1114.2175.800103.2
212N22.3Very low25.1Very low133 Ų133149 Ų14971%0.71178%0.784SS**  trans-17.9137.1162.2-63.4-35.1000117.5
213Q24.7Very low25.4Very low176 Ų176153.3 Ų153.382%0.82279%0.792SS**  155.9124.4112.7-83.5-17917.600109.3
214L26Very low25.3Very low178 Ų178150.6 Ų150.693%0.93279%0.787SS**  -176.1124.6115.6-95.1155.7000109.5
215N22.3Very low25.2Very low150 Ų150148.8 Ų148.880%0.80279%0.786SS**  trans-119.9150.2179.4-140.7-5.5000106.7
216K27Very low25.4Very low184 Ų184151.1 Ų151.180%0.879%0.788SS**  trans89.1112.1165.8-56.9-178.8173.2177.40118.9
217K27.5Very low25.5Very low182 Ų182153.6 Ų153.679%0.79179%0.786SS**  167.9109.795.7-88.9-166.4176.5173.80107.6
218D27.8Very low25.5Very low130 Ų130151.3 Ų151.370%0.69578%0.782SS**  93.7117.484.9-80.9-26.4000113.7
219N25.4Very low25.6Very low132 Ų132154.8 Ų154.871%0.70679%0.787SS**  103.1123.9128.6-84.7-33.1000123.1
220K28.7Very low25.8Very low176 Ų176155.6 Ų155.677%0.76579%0.792SS**  trans81.6139.5146.3-68.3170.4-177178.60117.1
221K28.1Very low25.8Very low179 Ų179158.2 Ų158.278%0.77879%0.793SS**  cis-174136.5-10.2-122.8-178.7-177.4-174.40105.9
222S24.2Very low25.9Very low96 Ų96157.5 Ų157.567%0.67179%0.792SS**  trans35.2125141.453.30000122.3
223H28.4Very low26.2Very low193 Ų193159 Ų15989%0.89480%0.8SS**  -149.4135.1127.4-112.5-48.7000112.7
224S26.6Very low26.1Very low91 Ų91153.9 Ų153.964%0.63679%0.794SS**  trans-94.5152.2179.151.10000113.2
225N24.4Very low26.1Very low149 Ų149153.5 Ų153.580%0.79779%0.793SS**  trans50.5124143.4-66.5-16.9000121.7
226L27.4Very low26.2Very low169 Ų169157.5 Ų157.589%0.88580%0.798SS**  trans165.2134.3137.7-91.2151000105.9
227I27.3Very low26.2Very low153 Ų153158.2 Ų158.279%0.78580%0.801SS**  -158.7137.153.8-71.1177.4000110.3
228K23.2Very low25.9Very low192 Ų192159.4 Ų159.484%0.83581%0.807SS**  trans-84.3137.6154-77.1177.7173.7178.70109.4
229K26.5Very low25.8Very low205 Ų205160 Ų16089%0.89181%0.809SS**  trans155.9120.7133.3-91.7177.8176-178.80111.7
230S27.8Very low25.8Very low121 Ų121162.4 Ų162.485%0.84681%0.813SS**  -174.2117.9115.859.70000110.4
231E23.4Very low25.5Very low179 Ų179164 Ų16484%0.83682%0.82SS**  trans-92.3159162.9-76.2177.2150.800110.4
232N24.9Very low25.3Very low139 Ų139164.5 Ų164.574%0.74382%0.823SS**  trans82.2102155.2-66.9-14.1000121.3
233N27.8Very low25.2Very low166 Ų166169.5 Ų169.589%0.88883%0.832SS**  172.1120.2108.7-85.4-18.5000106.7
234G24Very low25Very low67 Ų67170.2 Ų170.269%0.69183%0.828SS**  99.588.564.700000109.2
235N26Very low25.1Very low170 Ų170172 Ų17291%0.90984%0.838SS**  trans-161.5109.3154.8-104.2-26000111.9
236Y22.6Very low25Very low235 Ų235171 Ų17192%0.92283%0.832SS**  trans-68.1123.9165.4-81.1-96.2000110
237K28.1Very low25.1Very low199 Ų199170.4 Ų170.487%0.86583%0.83SS**  trans-145.7114.9149.4-100.5178.8-173.8175.80110.1L239K237-L239 PolarHBondContact O-N 2.89Å
238K22.1Very low25Very low207 Ų207169.6 Ų169.690%0.982%0.822SS**  trans-51.2125.4162.8-80.4172171.5172.40109.4
239L24.5Very low25.3Very low143 Ų143167.2 Ų167.275%0.74982%0.818SS**  trans-161.4114.5151.1-102.3135.1000112.1K237K237-L239 PolarHBondContact O-N 2.89Å
240K25.8Very low25.3Very low182 Ų182162.2 Ų162.279%0.79181%0.805SS**  trans55117.2143.4-67.5-179-176.3-179.60120.8F242K240-F242 PolarHBondContact O-N 2.84Å
241K22Very low25.3Very low210 Ų210162.2 Ų162.291%0.91379%0.794SS**  trans-35.4124158.3-72.4174.2171.61780112.7
242F23.9Very low25.5Very low189 Ų189160.8 Ų160.883%0.82979%0.792SS**  trans-130.1132.8150.5-94.9-83.1000108.4K240K240-F242 PolarHBondContact O-N 2.84Å
243K23Very low25.9Very low200 Ų200161 Ų16187%0.8779%0.789SS**  trans-103.8114.2-172-157.7-174.3-172.9-168.50106.9
244Y22.7Very low25.9Very low208 Ų208160.3 Ų160.382%0.81678%0.784SS**  trans-150.9137.4159.9-72.1-72.1000107.9
245P28.7Very low26Very low128 Ų128164.3 Ų164.383%0.83179%0.79SS**  trans-114105.8152.331.4-17.6000109.4
246L23.4Very low26Very low128 Ų128165 Ų16567%0.6778%0.784SS**  trans-68139.2144.7-78.5153.3000107.4
247N29.6Very low26.2Very low158 Ų158161.3 Ų161.385%0.84578%0.781SS**  trans-15799.7137.8-92.5-18.9000110.1
248H25.1Very low26Very low135 Ų135159.7 Ų159.763%0.62578%0.781SS**PPolyproline II helixtrans-81117.6165.830.3-83.3000107.6
249L28.5Very low26.1Very low143 Ų143157.2 Ų157.275%0.74978%0.777SS**PPolyproline II helixtrans-94.8118.7168.3-77.6162000108.7
250T28Very low26.1Very low100 Ų100155.4 Ų155.461%0.61378%0.777SS**PPolyproline II helixtrans-80.5148.4175.931.20000111.5D252 Q253T250-D252 PolarHBondContact O-N 3.16Å; T250-Q253 PolarHBondContact O-N 2.88Å
251I26.5Very low25.9Very low120 Ų120156 Ų15662%0.61578%0.779SS**G310 helixtrans-61.3-7.1-171-76.2170.8000114.8
252D27.5Very low26Very low149 Ų149156.4 Ų156.480%0.79778%0.777SS**G310 helixtrans-83.2-5.1176.8-72-34.8000114.8T250T250-D252 PolarHBondContact O-N 3.16Å
253Q33.7Very low25.8Very low144 Ų144154.2 Ų154.267%0.67377%0.772SS**G310 helixtrans-97.2-3.8176.3-73.1-172.9-21.300114.9T250T250-Q253 PolarHBondContact O-N 2.88Å
254L29.3Very low25.9Very low152 Ų152152.1 Ų152.180%0.79677%0.769SS**SBendtrans-96.3-4.9-179.1-79.9166.5000115
255N25.2Very low25.8Very low151 Ų151147.7 Ų147.781%0.80776%0.764SS**SBendtrans-115.719.7-174.7-85.1-20.5000116
256K25.3Very low25.8Very low183 Ų183148.1 Ų148.180%0.79676%0.764SS**  trans-134.391.7168.8-79.9-179.1178174.20109.8
257N26.7Very low25.7Very low158 Ų158149.1 Ų149.185%0.84577%0.77SS**  trans-178.868.4147.8-86.7-24.8000109.4
258L24.4Very low25.6Very low166 Ų166149 Ų14987%0.86977%0.77SS**SBendtrans-93.7128144.8-81.8157.5000105.3
259N23.5Very low25.7Very low154 Ų154150 Ų15082%0.82478%0.78SS**  trans83.393.6177.7-55.9-24.1000117.8
260S25.4Very low25.5Very low106 Ų106152.2 Ų152.274%0.74178%0.783SS**  -177.3130.4123.251.50000112.7
261K21.6Very low25.5Very low194 Ų194155.7 Ų155.784%0.84379%0.79SS**  trans-40138.5169.7-79.4167166.4171.60114.4
262Y24.1Very low25.3Very low218 Ų218157.9 Ų157.986%0.85580%0.795SS**  trans-136.7124.3144.1-90.9-81.4000111.2
263I20.5Very low25.4Very low143 Ų143157.4 Ų157.473%0.73378%0.782SS**  trans-75.9129.6165-67.6166.6000106.7
264I23.8Very low25Very low156 Ų156160.2 Ų160.280%0.879%0.788SS**  trans-129.2101.9163.7-58.4178.3000107.8
265T21.2Very low24.9Very low116 Ų116156.2 Ų156.271%0.71278%0.776SS**  trans-95121.915646.10000107.7
266T27.7Very low24.7Very low136 Ų136159.6 Ų159.683%0.83478%0.779SS**  -176.7133.5124.743.30000111.7
267N23.2Very low24.8Very low150 Ų150154.9 Ų154.980%0.80277%0.769SS**  trans-44.2133.5172.3-66.1-29.7000115.4
268N26.8Very low24.8Very low156 Ų156157.9 Ų157.983%0.83477%0.77SS**  171.2144.6103-98.2-24.3000111.6K270N268-K270 PolarHBondContact O-N 2.7Å
269N26.8Very low24.8Very low156 Ų156157.2 Ų157.283%0.83476%0.763SS**  trans-48.7112.4-176.3-70.7-35.3000114.7
270K25.5Very low25.1Very low188 Ų188157.8 Ų157.882%0.81777%0.766SS**  trans168.790.1141.4-94.1165.4-175-179.90107.6N268 K272N268-K270 PolarHBondContact O-N 2.7Å; K270-K272 PolarHBondContact O-N 2.82Å
271K26.1Very low25.1Very low174 Ų174160.6 Ų160.676%0.75777%0.767SS**  trans-67.3103.2168.1-75.4-174.4177.4-177.30107.7W273K271-W273 HydrophobicContact CB-CZ2 4.22Å; K271-W273 HydrophobicContact CD-CH2 4.43Å; K271-W273 HydrophobicContact CD-CZ2 4.19Å; K271-W273 VanDerWaalsContact O-CD1 3.29Å; K271-W273 PolarHBondContact O-NE1 2.75Å
272K24.1Very low25.3Very low165 Ų165159.6 Ų159.672%0.71777%0.766SS**  trans-79.9127.7165.7-78.6-176.8175.8-179.20107.8K270 Y274K270-K272 PolarHBondContact O-N 2.82Å; K272-Y274 HydrophobicContact CB-CE2 4.47Å
273W29.6Very low25.6Very low140 Ų140157.4 Ų157.453%0.5377%0.769SS.*  trans-98.2129.3-178.5-56.793.2000108.6K271 D683 T685K271-W273 HydrophobicContact CB-CZ2 4.22Å; K271-W273 HydrophobicContact CD-CH2 4.43Å; K271-W273 HydrophobicContact CD-CZ2 4.19Å; K271-W273 VanDerWaalsContact O-CD1 3.29Å; K271-W273 PolarHBondContact O-NE1 2.75Å; W273-D683 WeakPolarHBondContact CH2-OD2 3.12Å; W273-D683 VanDerWaalsContact CZ3-OD2 3.24Å; W273-D683 WeakPolarHBondContact CZ3-OD2 3.48Å; W273-T685 VanDerWaalsContact CZ3-OG1 3.28Å; W273-T685 WeakPolarHBondContact CZ3-OG1 3.36Å
274Y25Very low25.8Very low203 Ų203159.3 Ų159.380%0.79677%0.774SS**  trans-106.3124.5178-64-87.1000108.7K272K272-Y274 HydrophobicContact CB-CE2 4.47Å
275A25.8Very low25.8Very low67 Ų67157.2 Ų157.255%0.55477%0.774SS**  trans-110.9129.4161.500000108.1
276Y22.8Very low26Very low223 Ų223158 Ų15888%0.87578%0.778SS**  trans-76.4124.9170-93.8-97.4000109
277S26.6Very low25.8Very low83 Ų83162.1 Ų162.158%0.5878%0.778SS**  trans-130.2126.9155.260.40000108.2
278Y26.1Very low25.8Very low221 Ų221161.5 Ų161.587%0.86778%0.78SS**  trans-63.9130.4173.1-100.2-102.6000110
279E24.7Very low25.6Very low153 Ų153161.2 Ų161.272%0.71578%0.778SS**  trans-77.8126163.9-69175.4166.300108.3
280D30.7Very low25.5Very low166 Ų166158.4 Ų158.489%0.88877%0.77SS**  trans-122.3105.8146.2-84.7-33.4000106.6
281E25.1Very low25.5Very low165 Ų165156.5 Ų156.577%0.77177%0.774SS**  trans-79.4148.2164.8-70.2-166.5144.200109.7
282E26.4Very low25.4Very low173 Ų173157.9 Ų157.981%0.80878%0.78SS**  trans82.891.9164.9-54.5-172168.800118.3
283N29.7Very low25.4Very low171 Ų171157.6 Ų157.691%0.91479%0.785SS**  -158.6131114.2-99.6-38.5000113.3
284H24.6Very low25.2Very low183 Ų183155.9 Ų155.985%0.84780%0.795SS**  trans-74.8151176.3-88.8-76.4000112.7
285S23.2Very low25.2Very low113 Ų113157.3 Ų157.379%0.7980%0.8SS**  trans73.1121.216978.60000114.5
286V25.1Very low25Very low132 Ų132162.6 Ų162.680%0.882%0.818SS**  -143.2139.258.5171.70000110.8T288V286-T288 PolarHBondContact O-N 3.28Å
287R23.2Very low25.1Very low223 Ų223157.2 Ų157.284%0.84281%0.813SS**  trans-60.8125.4173.2-70.8169.9170.8152.5-3.8111
288T24.8Very low25.1Very low137 Ų137162 Ų16284%0.8483%0.829SS**  trans-11186153.2-30.20000108.4V286 S290V286-T288 PolarHBondContact O-N 3.28Å; T288-S290 PolarHBondContact O-N 2.77Å
289L22.4Very low25Very low150 Ų150160.6 Ų160.679%0.78583%0.83SS**  trans-72.495159.6-84.9156.4000107.5
290S23.7Very low25Very low96 Ų96160.9 Ų160.967%0.67183%0.831SS**  trans-166.172.3158-173.90000111.5T288T288-S290 PolarHBondContact O-N 2.77Å
291T25.6Very low24.8Very low149 Ų149161.9 Ų161.991%0.91483%0.828SS**  trans-175.166.8148.114.90000107.8
292K23.5Very low25Very low202 Ų202159.8 Ų159.888%0.87883%0.831SS**  trans-141.767.9168.6-141.7175.5-169.4178.20107.8
293I25.6Very low24.9Very low159 Ų159161.4 Ų161.482%0.81584%0.835SS**  trans-125.4109.6166.1-66.7-177.9000106.7
294S24.5Very low24.8Very low105 Ų105163 Ų16373%0.73483%0.834SS**SBendtrans7672.7153.2-540000119.3
295Y24.3Very low24.9Very low233 Ų233159.3 Ų159.391%0.91483%0.829SS**SBendtrans-143.7101.3135.1-122-91.8000107.8
296L22.9Very low24.9Very low177 Ų177165.1 Ų165.193%0.92784%0.835SS**  trans136.969.9169.7-74.4161.2000112
297S25.2Very low25Very low111 Ų111168.7 Ų168.778%0.77683%0.834SS**  trans-149.394.9145.366.80000108.2
298M25.7Very low25.1Very low183 Ų183164 Ų16490%0.90183%0.833SS**  trans168.673147.6-90.9173.487.900108Q300M298-Q300 PolarHBondContact O-N 3.19Å
299Q24.5Very low25.3Very low192 Ų192166.3 Ų166.390%0.89783%0.831SS**  trans-71.5109.3139.8-80.8-177.9-4.300105.8
300Q25Very low25.4Very low158 Ų158164.7 Ų164.774%0.73883%0.833SS**  166.4131.9128.1-90.4-177.714.300110.4M298M298-Q300 PolarHBondContact O-N 3.19Å
301K26.5Very low25.4Very low188 Ų188163.5 Ų163.582%0.81784%0.835SS**  trans97.9109.1159.6-63.7175.5-177.3-179.70118.3
302S28.9Very low25.6Very low120 Ų120164.7 Ų164.784%0.83984%0.835SS**  trans107105.9138.177.20000117.2
303K23.8Very low25.8Very low207 Ų207160.9 Ų160.990%0.983%0.834SS**  trans-49.1134.4163.1-62.9168.8173.7177.80110.8
304K28.8Very low25.9Very low206 Ų206156.4 Ų156.490%0.89683%0.828SS**  trans-152.9132.9137.6-107172.9-171.9-177.20110.4
305S25Very low26.1Very low104 Ų104159 Ų15973%0.72783%0.833SS**  trans-40.1138.8179.550.40000117
306Y24.8Very low26.4Very low235 Ų235159.1 Ų159.192%0.92283%0.832SS**  trans-120.1117.9148.1-109.4-90.9000108.7
307R26.7Very low26.9Very low207 Ų207156.2 Ų156.278%0.78182%0.821SS**  trans-82147.9166.5-74.8-172.2-179.5-150.12108.9
308P25.1Very low27.3Very low126 Ų126156.1 Ų156.182%0.81881%0.812SS**  trans-82.7129.9169.433.3-27.5000109.1
309F28Very low27.5Very low184 Ų184154.5 Ų154.581%0.80781%0.806SS**  trans-119.1116.6162.2-101.3-81.4000108.8
310S25.7Very low28Very low117 Ų117152.1 Ų152.182%0.81880%0.799SS**  trans-66.5139.9160.246.20000110.5
311G23.9Very low28.7Very low70 Ų70151.4 Ų151.472%0.72280%0.796SS**  trans138.6123160.500000114.9
312L28.9Very low29.1Very low175 Ų175152.4 Ų152.492%0.91680%0.795SS**  trans92.3116.6157.8-54.4172.6000118.8
313S28.5Very low29.4Very low121 Ų121154.3 Ų154.385%0.84679%0.79SS**  trans-42.6132.3159.8520000113.4
314G27Very low30Very low66 Ų66152.8 Ų152.868%0.6878%0.784SS**  trans177.4109.5169.300000111.3R316G314-R316 PolarHBondContact O-N 3.26Å
315N28.5Very low30.2Very low159 Ų159148.3 Ų148.385%0.8577%0.77SS**  trans12.993.1158.2-65-24000116.9V317N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 3.28Å
316R30.3Very low30.6Very low236 Ų236152.3 Ų152.389%0.89177%0.769SS**  trans-8288.2155.6-94.2-177.1170.3171.9-2.4108.6G314G314-R316 PolarHBondContact O-N 3.26Å
317V33.2Very low31Very low115 Ų115146.7 Ų146.770%0.69776%0.755SS**  trans-57.6129.2156.2178.60000107.2N315 L319N315-V317 VanDerWaalsContact C-N 3.34Å; N315-V317 PolarHBondContact O-N 3.28Å; V317-L319 PolarHBondContact O-N 2.93Å; V317-L319 VanDerWaalsContact O-N 3.15Å
318D35.1Very low31.4Very low109 Ų109139.9 Ų139.958%0.58374%0.739SS**  trans-51.2116.8-179.3-81.4-46.5000111N320D318-N320 PolarHBondContact O-N 3Å
319L29.8Very low31.7Very low150 Ų150144.7 Ų144.779%0.78574%0.741SS**THydrogen-bonded Turntrans-74.214.9-176-82.6167.1000114.2V317V317-L319 PolarHBondContact O-N 2.93Å; V317-L319 VanDerWaalsContact O-N 3.15Å
320N35.1Very low31.8Very low141 Ų141143.4 Ų143.475%0.75474%0.738SS**THydrogen-bonded Turntrans-117.68.3179.4-75.3-7.6000115.1D318D318-N320 PolarHBondContact O-N 3Å
321E39.9Very low31.9Very low144 Ų144144.7 Ų144.767%0.67374%0.736SS**SBendtrans-103.81.1176.2-79.2-172.8160.200115
322R34.1Very low32.1Very low209 Ų209148.4 Ų148.479%0.78974%0.737SS**THydrogen-bonded Turntrans-87.8-7.8175.6-87.7-177.3177.2169.70.1115.3
323E34.1Very low32Very low159 Ų159149.1 Ų149.174%0.74374%0.736SS**THydrogen-bonded Turntrans-101.3-20.3177.7-73.1-172156.100114.1
324F36.7Very low31.9Very low176 Ų176152.8 Ų152.877%0.77274%0.74SS**Hα-helixtrans-82.2-28.1175.8-154.4-102000113.1S328F324-S328 PolarHBondContact O-OG 3.25Å
325N33.9Very low31.8Very low112 Ų112154.1 Ų154.160%0.59974%0.738SS**Hα-helixtrans-87.11178.1-86.1-34.6000115.1
326R34.2Very low31.8Very low187 Ų187154.7 Ų154.771%0.70674%0.736SS**Hα-helixtrans-92-26169.9-83.3-179.2173.9164.4-2.3113.1
327N33.2Very low31.7Very low117 Ų117151.3 Ų151.363%0.62673%0.733SS**Hα-helixtrans-89.3-12.1-179.3-72.2-17.6000114.2
328S33.6Very low31.2Very low65 Ų65153.7 Ų153.746%0.45574%0.737SS.*SBendtrans-97.7-0.3174.741.20000114F324F324-S328 PolarHBondContact O-OG 3.25Å
329R32Very low31Very low226 Ų226155.1 Ų155.185%0.85375%0.745SS**SBendtrans-106.91171.6-84.1-174.8172.8177.9-1.5114.6
330Q29.9Very low31Very low158 Ų158153.9 Ų153.974%0.73874%0.738SS**SBendtrans-100.58.8177-82-173.7-27.600114.7
331N28.4Very low30.6Very low144 Ų144157.5 Ų157.577%0.7774%0.742SS**SBendtrans-126.622.1-177.9-80.7-29.2000115
332I28.9Very low29.9Very low148 Ų148156.4 Ų156.476%0.75975%0.749SS**SBendtrans-126.97.7177.8-63.5-179.3000113.8
333E26.7Very low29.5Very low190 Ų190149.5 Ų149.589%0.88874%0.743SS**  trans-124.658.2173.2-76.1-174.9164.700112.5
334Q25.7Very low29.1Very low198 Ų198149.9 Ų149.993%0.92575%0.745SS**  trans-129.670.4159.8-89.5-173.4-13.100109.9
335S24.5Very low28.7Very low93 Ų93146.7 Ų146.765%0.6574%0.736SS**SBendtrans-161.3127.1154.358.40000108.8
336H28.3Very low28.2Very low172 Ų172151.2 Ų151.280%0.79675%0.745SS**SBendtrans83.690.8171.4-56.9-72.4000117.3
337I28.9Very low27.8Very low164 Ų164148.7 Ų148.784%0.84175%0.745SS**  172.2118.997.3-84.3162.3000108.4
338E23.5Very low27.4Very low166 Ų166150.1 Ų150.178%0.77675%0.753SS**  trans-73.2161.5163.6-71.1173.1137.500111
339N30.3Very low26.9Very low138 Ų138152 Ų15274%0.73877%0.766SS**  trans104.2132.1162-57.7-32.7000116.1
340I29.6Very low26.6Very low125 Ų125148 Ų14864%0.64176%0.76SS**  cis-178151.4-2.5-111.6165.6000105.7
341Y27.2Very low26.5Very low216 Ų216148.3 Ų148.385%0.84776%0.761SS**  trans61.9115168.3-76-69.7000118.9
342C23.7Very low26.2Very low122 Ų122151.6 Ų151.682%0.82476%0.764SS**  cis84.4125.939.3-157.20000115.6
343G27.1Very low26.2Very low64 Ų64152.1 Ų152.166%0.6677%0.769SS**  trans150.284.3169.600000111.6
344Q26Very low26.1Very low167 Ų167146.6 Ų146.678%0.7876%0.763SS**  50.5129.198.1-68.6-163.81.300113.3
345N26.9Very low26.4Very low109 Ų109143 Ų14358%0.58376%0.76SS**  cis-173143.935.6-113.8-27.9000110.8
346R24.1Very low26.5Very low207 Ų207145.1 Ų145.178%0.78176%0.764SS**  54.3129.8128.2-72178.4-179.4174.10.8123.9
347N25.3Very low26.6Very low134 Ų134144.7 Ų144.772%0.71776%0.762SS**  95.9109.6128.8-69.2-3.2000121.9
348N24Very low26.9Very low146 Ų146141.3 Ų141.378%0.78175%0.751SS**  52128.7124-73.5-4000123.5
349S23.5Very low27Very low105 Ų105138.6 Ų138.673%0.73475%0.749SS**  trans75.2127.714062.40000119
350I26.6Very low27Very low142 Ų142140 Ų14073%0.72876%0.755SS**  175.3127.4117.4-87.7159.6000111.7
351Q26.9Very low27.1Very low164 Ų164137.3 Ų137.377%0.76675%0.752SS**  trans54120.4140.3-64.6170.1-17.100121.5
352Y22.8Very low27Very low213 Ų213132.9 Ų132.984%0.83575%0.747SS**  65.3109.685.4-95.9-85.8000114.6
353N28.1Very low27Very low160 Ų160132.3 Ų132.386%0.85674%0.744SS**  176.8108.9116.4-87.3-16.9000110.6
354G25.2Very low27Very low74 Ų74137.6 Ų137.676%0.76375%0.749SS**  trans-113.9121.8160.900000107.8
355S31Very low27.2Very low122 Ų122136.5 Ų136.585%0.85375%0.748SS**  trans-77.7119.4178.147.20000111.5
356N27.6Very low27.1Very low138 Ų138137.6 Ų137.674%0.73875%0.754SS**  trans-49.3156.3147.2-71.4-15.5000109.9
357E29.7Very low27.1Very low163 Ų163134.8 Ų134.876%0.76275%0.753SS**  cis173.7-164.521.7-122.8-177.8-175.200105.1
358P35.8Very low27.4Very low93 Ų93133.5 Ų133.560%0.60475%0.752SS**  cis-142.4166.7-29.329.4-8.5000115.9
359C26.1Very low27.4Very low108 Ų108136.5 Ų136.573%0.7376%0.759SS**  trans54.3143.5134.3-55.10000120.9
360L30.3Very low27.4Very low167 Ų167134.5 Ų134.587%0.87475%0.748SS**  cis-161.7166.347.6-100.893.6000106.8
361A30.3Very low27.3Very low70 Ų70133.8 Ų133.858%0.57975%0.751SS**  cis-172.3117.8-6.300000104.1
362T25.8Very low27.1Very low122 Ų122130.7 Ų130.775%0.74874%0.743SS**  46.8112.29954.80000116.6
363C24.6Very low27Very low111 Ų111127 Ų12775%0.7574%0.737SS**  83.1132.3110.4-74.40000113.8
364K27.4Very low26.8Very low175 Ų175125.9 Ų125.976%0.76173%0.726SS**  173.3140.255.5-123.2164.3-171-173.30104.7
365N28.8Very low26.7Very low144 Ų144128.2 Ų128.277%0.7772%0.721SS**  179.115880.2-92.1-27000110.7
366D26Very low26.3Very low132 Ų132128 Ų12871%0.70671%0.711SS**  trans-77.4144.7-171.1-58.9-71.2000116.2
367I24.1Very low26.1Very low147 Ų147127.6 Ų127.675%0.75471%0.708SS**  36.3154.3114.5-45.1166.6000118.2
368P30.2Very low25.7Very low108 Ų108126.2 Ų126.270%0.70170%0.704SS**  cis-127.9172.7-25.330.9-12.9000113.2
369F25Very low25.1Very low209 Ų209129.5 Ų129.592%0.91772%0.716SS**  trans-118.9128153.3-139-94.6000110.2
370A23.4Very low24.9Very low62 Ų62132.6 Ų132.651%0.51272%0.72SS.*  trans-109.9169.4173.600000109.2
371T23.7Very low25Very low128 Ų128129.1 Ų129.179%0.78571%0.707SS**  trans77.3141.3145.348.10000119.4
372T22.9Very low24.7Very low98 Ų98133.2 Ų133.260%0.60171%0.714SS**  cis-179.3157-11.1-660000107.5
373L21.7Very low24.7Very low136 Ų136134.1 Ų134.171%0.71272%0.715SS**  trans73.7145.1149.9-84.1143.9000115.6
374Q22.8Very low24.9Very low136 Ų136135 Ų13564%0.63671%0.71SS**  cis-172.2156.631.5-159.2121.21.100110.4
375N23.7Very low24.9Very low123 Ų123133 Ų13366%0.65871%0.708SS**  trans71.1145151.9-68.1-8000117.9
376N22.7Very low25Very low117 Ų117132.8 Ų132.863%0.62670%0.703SS**  cis-178.1146.33.6-112.8-13.4000109.4
377L23Very low25Very low131 Ų131133.8 Ų133.869%0.68671%0.707SS**  trans82.3118.3134.9-62.9161.6000123.2
378I22.4Very low24.9Very low133 Ų133130.5 Ų130.568%0.68270%0.702SS**  54.3115.6129.6-38.5174.3000119.5
379L22.9Very low24.7Very low162 Ų162134.6 Ų134.685%0.84871%0.712SS**  162132.1113.1-83.3168.9000112.4
380Q20.7Very low24.7Very low173 Ų173133.4 Ų133.481%0.80871%0.709SS**  trans-111.8173.6146.5-95-155.112.200106
381P32Very low24.8Very low95 Ų95140.8 Ų140.862%0.61773%0.729SS**  cis-142.1-164.3-12.625.71.5000114
382E25.1Very low25Very low155 Ų155144.4 Ų144.472%0.72473%0.734SS**  trans94.5108.7151.9-56.1-173-173.300118.2
383N26.6Very low25Very low141 Ų141149.8 Ų149.875%0.75475%0.749SS**  76.4129.981.8-66.3-26.5000112.4
384I27.2Very low25.1Very low129 Ų129152.1 Ų152.166%0.66276%0.756SS**  166.2129.2102.6-87.1173.7000105.1Q386I384-Q386 HydrophobicContact CG2-CG 4.07Å; I384-Q386 VanDerWaalsContact CG2-NE2 3.28Å
385D28.2Very low25.1Very low134 Ų134150.6 Ų150.672%0.71776%0.761SS**  -146.1123.774.4-86.2-44.6000111.6
386Q31.1Very low25.3Very low140 Ų140153.4 Ų153.465%0.65477%0.77SS**  85.2143.968.9-83-170.367.500113.2I384I384-Q386 HydrophobicContact CG2-CG 4.07Å; I384-Q386 VanDerWaalsContact CG2-NE2 3.28Å
387L25.4Very low25.5Very low153 Ų153155.1 Ų155.180%0.80178%0.779SS**  cis-169.2159.2-12.8-164.179.8000106.7
388A22.2Very low25.6Very low78 Ų78157.7 Ų157.765%0.64579%0.785SS**  trans-62.8166.8-179.400000117.5
389H26.9Very low25.9Very low194 Ų194158.6 Ų158.690%0.89879%0.791SS**  trans-136.6124.6143.3-108.546.3000112.7
390Q23.2Very low26.1Very low184 Ų184158 Ų15886%0.8679%0.787SS**  trans-67.5142.3162.8-87.9163.6-42.100111.1
391K26.7Very low26.3Very low217 Ų217155.2 Ų155.294%0.94379%0.785SS**  trans-137.2135.4135.7-91.5-169.2179.1178.60110.9
392K27.4Very low26Very low204 Ų204159 Ų15989%0.88780%0.795SS**  trans-87.9148.2-166-161178.8-178.8-1730109.9
393K24.2Very low26Very low211 Ų211157.5 Ų157.592%0.91779%0.791SS**  trans-112.1119.4-173.2-158.5-179.4-170.2-178.60110.2
394E23.4Very low25.8Very low184 Ų184157.3 Ų157.386%0.8679%0.789SS**  trans-169.3142.2163.8-93.4174.1-174.100103.7
395S23.1Very low25.8Very low105 Ų105157.6 Ų157.673%0.73479%0.79SS**  cis-170.4133.1-26.456.80000105
396E26.6Very low25.8Very low182 Ų182157.6 Ų157.685%0.8579%0.79SS**  trans-174.9133.3164.3-100.7158.7-156.600103.3
397D27.2Very low25.8Very low152 Ų152157.6 Ų157.681%0.81380%0.795SS**  cis-154.4156.431.8-111.7-34000113
398K26.2Very low25.8Very low185 Ų185156.7 Ų156.780%0.80479%0.791SS**  trans-80.6160.9169.9-76.2169.2172.1170.50111.5
399N28.1Very low26.1Very low152 Ų152159 Ų15981%0.81379%0.792SS**  trans122122.4155.5-67.1-27000109.6
400I27.3Very low26Very low151 Ų151156.5 Ų156.577%0.77479%0.785SS**SBend-154.3131.854-76.2176.4000110.3
401C24.8Very low26.3Very low113 Ų113154.5 Ų154.576%0.76478%0.779SS**  trans54.2114.9154.5-58.90000119.5
402Q25.7Very low26.2Very low175 Ų175149.4 Ų149.482%0.81877%0.766SS**  cis59.4128.739.7-141.4144.35.500112.2
403L23.7Very low26Very low124 Ų124146.6 Ų146.665%0.64976%0.761SS**  cis-175.5147.4-5.6-121.6171.1000104
404I23.3Very low26.2Very low136 Ų136146.5 Ų146.570%0.69776%0.76SS**  trans66.7124.7149.3-45.1163.7000117.1
405I26.2Very low26.3Very low135 Ų135146.2 Ų146.269%0.69276%0.762SS**  160.1124.2118.8-79.6177.1000108.6
406N28.1Very low26.6Very low135 Ų135149.8 Ų149.872%0.72277%0.766SS**  trans78.4128.8162.1-63.9-5.8000117.4
407N31.3Very low26.5Very low140 Ų140146.8 Ų146.875%0.74976%0.761SS**  cis-162.8133.514.5-101.3-16000111
408N26Very low26.6Very low134 Ų134146.8 Ų146.872%0.71776%0.761SS**  trans-20.6152.6131.3-86.920000114.8
409D29.6Very low26.6Very low125 Ų125142.1 Ų142.167%0.66876%0.756SS**  cis-166.7141.925.2-94.4-38.9000108.6
410N24.9Very low26.7Very low142 Ų142143 Ų14376%0.75976%0.76SS**  27.9139126.3-85.1-23.2000123.5
411I27.6Very low26.5Very low143 Ų143141.5 Ų141.573%0.73376%0.758SS**  trans114.2104.8137.9-70.4154.7000119.5
412T25Very low26.7Very low109 Ų109142.1 Ų142.167%0.66976%0.759SS**  trans54133134.767.90000124.9
413D24.1Very low26.9Very low145 Ų145139 Ų13978%0.77575%0.752SS**  trans56.7113.8134.4-60.2-15000121.4
414K28.7Very low26.9Very low209 Ų209139 Ų13991%0.90976%0.757SS**  168.6160.3105.6-94.1-179-179176.10113.8
415M25.6Very low27.1Very low179 Ų179139 Ų13988%0.88276%0.763SS**  trans-67.8153.3-176.3-61.4158.4138.500115.9
416E28.2Very low27Very low179 Ų179137.8 Ų137.884%0.83676%0.763SS**  trans179.7120.8136.2-103.5166.9177.900106.6
417T25.6Very low27.2Very low119 Ų119139.3 Ų139.373%0.7377%0.77SS**  41.8103.270.157.60000115.7
418D29.7Very low27Very low153 Ų153138.6 Ų138.682%0.81877%0.771SS**  trans-177.5114.2135.3-85.5-19.6000107.2
419A24.7Very low27Very low86 Ų86138 Ų13871%0.71177%0.773SS**  57.6102.181.500000113.8
420L29.7Very low27Very low170 Ų170138.1 Ų138.189%0.8978%0.778SS**  trans-147.1107.3143.5-139.690.2000111.4
421T24.5Very low27Very low120 Ų120137.5 Ų137.574%0.73678%0.78SS**  trans-73.6132.9161.4-360000108.3
422T28.7Very low27.2Very low127 Ų127137.5 Ų137.578%0.77979%0.787SS**  trans-151.5126.9144.8-55.70000110
423T28.8Very low27.3Very low108 Ų108138.1 Ų138.166%0.66379%0.79SS**  trans-83.5142.8-177.842.20000113.1
424V25.5Very low27.6Very low126 Ų126137.6 Ų137.676%0.76479%0.793SS**  trans45.2117.1138.2-171.70000118.8
425T27.4Very low27.6Very low135 Ų135134.7 Ų134.783%0.82879%0.787SS**  trans-151.5121.6131-21.60000111.5
426T23.8Very low28Very low110 Ų110133 Ų13368%0.67579%0.787SS**  trans-62.2144.1162.3450000111
427N31.6Very low28.4Very low166 Ų166131 Ų13189%0.88878%0.781SS**  trans-161.4139.3143.1-90.3-22.1000111
428T26.8Very low28.6Very low125 Ų125131.8 Ų131.877%0.76778%0.78SS**  trans-111.4150.6-173.3-19.20000109.5
429T26.6Very low28.7Very low123 Ų123131.9 Ų131.976%0.75578%0.781SS**  trans73.7123.7157.63.90000117
430T30.5Very low28.8Very low127 Ų127134.4 Ų134.478%0.77978%0.782SS**  -170.1153.169.415.40000112.4
431T24.9Very low29Very low128 Ų128134.1 Ų134.179%0.78578%0.782SS**  trans-49.5145.2171.935.20000116.8
432T31.1Very low29.1Very low144 Ų144135 Ų13588%0.88378%0.782SS**  trans-150125.2139.3-16.20000110.9
433T26.6Very low29.2Very low121 Ų121136 Ų13674%0.74278%0.783SS**  trans-75.8136.5172.69.40000110.9
434T30.9Very low29.1Very low135 Ų135137.4 Ų137.483%0.82879%0.786SS**  trans-145.7113.2144.248.70000109.8
435N29.3Very low29.3Very low148 Ų148137.3 Ų137.379%0.79178%0.781SS**  trans-68.3136.5163.1-74.2-28.2000109.6
436T32.1Very low29.4Very low142 Ų142136.7 Ų136.787%0.87177%0.773SS**  trans-138.1127.6144.9-32.80000108.5
437I37.5Very low29.8Very low139 Ų139137.3 Ų137.371%0.71377%0.772SS**  trans-87.1137.4-176.2-74.6167000109.8
438N29.3Very low30Very low135 Ų135135.4 Ų135.472%0.72276%0.762SS**  trans41.7123.5154.4-64.8-11.3000120.4
439N31.3Very low30.8Very low155 Ų155135.5 Ų135.583%0.82976%0.758SS**  -158.5138.7105.8-104.2-20.5000113.5
440N27.2Very low31.8Very low138 Ų138137 Ų13774%0.73876%0.756SS**  trans-29.8128171-64.3-28.9000115.3
441N33.9Very low32.8Very low164 Ų164133.1 Ų133.188%0.87773%0.731SS**  trans-133.8110.3136.7-98.8-20.2000109.1N443N441-N443 PolarHBondContact O-N 2.82Å; N441-N443 VanDerWaalsContact O-N 3.07Å
442N26.5Very low34.2Very low140 Ų140133.7 Ų133.775%0.74973%0.729SS**  trans-48.7107158.7-74.6-27.8000109.1
443N31.7Very low36.2Very low147 Ų147128.8 Ų128.879%0.78670%0.701SS**  trans-127.993.4144.5-92.6-16.6000106.2N441 N445N441-N443 PolarHBondContact O-N 2.82Å; N441-N443 VanDerWaalsContact O-N 3.07Å; N443-N445 PolarHBondContact O-N 2.89Å
444N26.5Very low38.8Very low138 Ų138129.2 Ų129.274%0.73869%0.694SS**  trans-58.878.9155.9-80.6-16.1000108.1N446N444-N446 VanDerWaalsContact C-N 3.27Å; N444-N446 PolarHBondContact O-N 2.79Å
445N30.3Very low41.7Very low124 Ų124127.6 Ų127.666%0.66368%0.68SS**  trans-9081.7148-79.3-5.9000105.6N443 N447N443-N445 PolarHBondContact O-N 2.89Å; N445-N447 PolarHBondContact O-N 2.82Å
446N28.9Very low44.8Very low121 Ų121122.8 Ų122.865%0.64765%0.651SS**  trans-65.869.5152-74.4-10.9000107.3N444 N448N444-N446 VanDerWaalsContact C-N 3.27Å; N444-N446 PolarHBondContact O-N 2.79Å; N446-N448 PolarHBondContact O-N 3.37Å; N446-N448 VanDerWaalsContact O-N 3.1Å
447N32.4Very low47.9Very low124 Ų124116.6 Ų116.666%0.66361%0.612SS**  trans-72.984.5142.2-71.7-9.6000103N445 D449N445-N447 PolarHBondContact O-N 2.82Å; N447-D449 PolarHBondContact O-N 3.42Å
448N36.1Very low50.5Low125 Ų125116.4 Ų116.467%0.66861%0.606SS**  trans-56.5106.4159.3-72.6-23.1000104N446 E450N446-N448 PolarHBondContact O-N 3.37Å; N446-N448 VanDerWaalsContact O-N 3.1Å; N448-E450 PolarHBondContact O-N 3.28Å
449D42.7Very low53.5Low127 Ų127110 Ų11068%0.67957%0.572SS**  trans-60.284.3165.5-70.5-42.6000105.9N447 D451 D452N447-D449 PolarHBondContact O-N 3.42Å; D449-D451 PolarHBondContact O-N 2.89Å; D449-D452 PolarHBondContact O-N 2.91Å
450E47.2Very low56.3Low156 Ų156106.1 Ų106.173%0.72955%0.551SS**G310 helixtrans-57-10.6170-75.5-171.616600110.7N448 R756N448-E450 PolarHBondContact O-N 3.28Å; E450-R756 PolarHBondContact O-NH2 3.5Å
451D52Low59.3Low45 Ų45101 Ų10124%0.24153%0.526CS..G310 helixtrans-73.8-24.2-175.4-143.64.3000114.5D449 S453 N460 R756D449-D451 PolarHBondContact O-N 2.89Å; D451-S453 PolarHBondContact O-N 3.18Å; D451-N460 WeakPolarHBondContact OD2-CB 3.44Å; D451-N460 PolarHBondContact OD2-ND2 3.31Å; D451-R756 PolarHBondContact O-NH2 3.43Å; D451-R756 IonicContact OD1-CZ 3.45Å; D451-R756 IonicContact OD1-NE 2.74Å; D451-R756 PolarHBondContact OD1-NE 2.96Å; D451-R756 IonicContact OD1-NH2 3.44Å; D451-R756 PolarHBondContact OD1-NH2 3.42Å
452D54.9Low61.8Low139 Ų13999.1 Ų99.174%0.74352%0.521SS*.G310 helixtrans-95.721.1-175.1-93-6.9000114.6D449 E454D449-D452 PolarHBondContact O-N 2.91Å; D452-E454 PolarHBondContact O-N 3.31Å
453S72.3Confident64.9Low42 Ų4298.6 Ų98.629%0.29451%0.508SS..  trans-61.2124.3169.8164.60000110.4D451 D455 Y456D451-S453 PolarHBondContact O-N 3.18Å; S453-D455 PolarHBondContact O-N 2.9Å; S453-D455 WeakPolarHBondContact OG-CB 3.31Å; S453-D455 PolarHBondContact OG-N 3.27Å; S453-Y456 PolarHBondContact O-N 3.41Å; S453-Y456 VanDerWaalsContact O-N 3.07Å; S453-Y456 WeakPolarHBondContact OG-CD2 3.29Å
454E82.7Confident67.9Low130 Ų13092.9 Ų92.961%0.60748%0.476SS*.THydrogen-bonded Turntrans-56.7-18.2177.9-73.8-170.9158.600113.3D452 Y456 K750D452-E454 PolarHBondContact O-N 3.31Å; E454-Y456 VanDerWaalsContact C-N 3.32Å; E454-Y456 PolarHBondContact O-N 2.96Å; E454-K750 VanDerWaalsContact O-CD 3.25Å; E454-K750 WeakPolarHBondContact O-CD 3.23Å; E454-K750 VanDerWaalsContact O-CE 3.23Å; E454-K750 WeakPolarHBondContact O-CE 3.43Å
455D91.1Very high71.2Confident100 Ų10086.3 Ų86.354%0.53544%0.441SS..THydrogen-bonded Turntrans-73.8-16.3179.2-67.3-19.8000114S453 K750 K751S453-D455 PolarHBondContact O-N 2.9Å; S453-D455 WeakPolarHBondContact OG-CB 3.31Å; S453-D455 PolarHBondContact OG-N 3.27Å; D455-K750 WeakPolarHBondContact O-CB 3.34Å; D455-K751 WeakPolarHBondContact O-CB 3.44Å; D455-K751 PolarHBondContact O-N 3.36Å
456Y94.8Very high74.5Confident47 Ų4781 Ų8118%0.18441%0.413CS..BIsolated β-bridgetrans-118.2144.4-174.6-61.2-92.2000112.2S453 E454 K750 K751S453-Y456 PolarHBondContact O-N 3.41Å; S453-Y456 VanDerWaalsContact O-N 3.07Å; S453-Y456 WeakPolarHBondContact OG-CD2 3.29Å; E454-Y456 VanDerWaalsContact C-N 3.32Å; E454-Y456 PolarHBondContact O-N 2.96Å; Y456-K750 WeakPolarHBondContact O-CD 3.4Å; Y456-K751 WeakPolarHBondContact CA-O 3.18Å; Y456-K751 HydrophobicContact CD1-CB 3.59Å; Y456-K751 HydrophobicContact CD1-CD 4.29Å; Y456-K751 HydrophobicContact CE1-CB 3.79Å; Y456-K751 HydrophobicContact CE1-CD 3.68Å; Y456-K751 HydrophobicContact CE1-CG 4.39Å; Y456-K751 HydrophobicContact CG-CB 4.34Å
457Y95.6Very high77.8Confident12 Ų1275.2 Ų75.25%0.04738%0.382CS..  trans-69.9142.7164.3-71.7-80.2000109.5M459 G574 P576 D667 L748 T749 K750 K751 V752Y457-M459 WeakPolarHBondContact O-CG 3.34Å; Y457-M459 PolarHBondContact O-N 3.44Å; Y457-M459 VanDerWaalsContact O-N 3.16Å; Y457-G574 WeakPolarHBondContact CE1-O 3.33Å; Y457-P576 HydrophobicContact CD1-CG 3.77Å; Y457-P576 HydrophobicContact CD2-CG 3.57Å; Y457-P576 HydrophobicContact CE1-CG 4.09Å; Y457-P576 HydrophobicContact CE2-CG 3.86Å; Y457-P576 HydrophobicContact CG-CG 3.5Å; Y457-P576 VanDerWaalsContact CG-CG 3.5Å; Y457-D667 HydrophobicContact CE1-CB 4.31Å; Y457-D667 WeakPolarHBondContact OH-CB 3.43Å; Y457-D667 VanDerWaalsContact OH-CG 3.3Å; Y457-D667 PolarHBondContact OH-OD1 2.96Å; Y457-L748 HydrophobicContact CE2-CB 4.43Å; Y457-L748 HydrophobicContact CE2-CD2 4.11Å; Y457-T749 PolarHBondContact OH-N 3.47Å; Y457-T749 PolarHBondContact OH-OG1 3.27Å; Y457-K750 HydrophobicContact CD1-CB 4.29Å; Y457-K750 HydrophobicContact CD1-CD 4.31Å; Y457-K750 HydrophobicContact CD2-CB 3.55Å; Y457-K750 HydrophobicContact CE1-CB 4.29Å; Y457-K750 HydrophobicContact CE1-CG 4.44Å; Y457-K750 HydrophobicContact CE2-CB 3.59Å; Y457-K750 WeakPolarHBondContact CE2-O 3.47Å; Y457-K750 HydrophobicContact CG-CB 3.94Å; Y457-K751 PolarHBondContact N-O 3.27Å; Y457-V752 HydrophobicContact CD2-CB 4.45Å; Y457-V752 HydrophobicContact CD2-CG2 3.43Å; Y457-V752 VanDerWaalsContact CD2-CG2 3.43Å; Y457-V752 HydrophobicContact CE2-CG2 3.74Å; Y457-V752 HydrophobicContact CG-CG2 4.43Å
458K93.1Very high80.9Confident135 Ų13569.5 Ų69.559%0.58735%0.351SS*.  trans-59.9118.2167.2-177.8178.3178.6175.60108.7N460 D532K458-N460 WeakPolarHBondContact CE-OD1 3.28Å; K458-N460 VanDerWaalsContact CG-OD1 3.27Å; K458-N460 WeakPolarHBondContact CG-OD1 3.44Å; K458-D532 WeakPolarHBondContact O-CB 3.36Å
459M93.2Very high83.9Confident1 Ų163.5 Ų63.51%0.00532%0.319CS..  trans-133.427.2-176-71.2-64.3-56.700111Y457 K464 D532 C533 V752 C753 F754Y457-M459 WeakPolarHBondContact O-CG 3.34Å; Y457-M459 PolarHBondContact O-N 3.44Å; Y457-M459 VanDerWaalsContact O-N 3.16Å; M459-K464 HydrophobicContact CE-CD 4.39Å; M459-K464 VanDerWaalsContact O-CD 3.3Å; M459-K464 WeakPolarHBondContact O-CD 3.23Å; M459-K464 WeakPolarHBondContact O-CE 3.43Å; M459-K464 PolarHBondContact O-NZ 3.27Å; M459-D532 WeakPolarHBondContact CA-OD2 3.37Å; M459-D532 HydrophobicContact CE-CB 4.3Å; M459-D532 HydrophobicContact SD-CB 3.75Å; M459-C533 HydrophobicContact SD-CB 4.28Å; M459-V752 HydrophobicContact CE-CG1 4.32Å; M459-V752 HydrophobicContact SD-CG1 4.13Å; M459-C753 WeakPolarHBondContact CB-O 2.9Å; M459-F754 HydrophobicContact CE-CD1 3.59Å; M459-F754 HydrophobicContact CE-CE1 3.99Å
460N90.1Very high86.6Confident73 Ų7357.7 Ų57.739%0.3929%0.288SS..  trans-107.67.3-170.964.33.7000114.1D451 K458 D532D451-N460 WeakPolarHBondContact OD2-CB 3.44Å; D451-N460 PolarHBondContact OD2-ND2 3.31Å; K458-N460 WeakPolarHBondContact CE-OD1 3.28Å; K458-N460 VanDerWaalsContact CG-OD1 3.27Å; K458-N460 WeakPolarHBondContact CG-OD1 3.44Å; N460-D532 PolarHBondContact N-OD2 3.31Å
461S89.9Confident88.9Confident30 Ų3050.2 Ų50.221%0.2125%0.253CS..SBendtrans-66.3153178.2-62.70000111.2R463 D532S461-R463 PolarHBondContact O-N 2.78Å; S461-D532 VanDerWaalsContact CB-CG 3.47Å; S461-D532 WeakPolarHBondContact CB-OD1 3.45Å; S461-D532 VanDerWaalsContact CB-OD2 3.25Å; S461-D532 WeakPolarHBondContact CB-OD2 3.33Å; S461-D532 PolarHBondContact N-OD2 3.05Å; S461-D532 PolarHBondContact OG-OD1 3.31Å
462T86.2Confident90.9Very high126 Ų12648.1 Ų48.177%0.77324%0.242SC*.SBendtrans-56.5-42178.753.60000110.8N501T462-N501 PolarHBondContact O-ND2 3.11Å
463R90.5Very high92.5Very high128 Ų12843.1 Ų43.148%0.48322%0.215SC..SBendtrans-109.3119.9168-64.5-173-175.7-167.42.7109.4S461 G465 Y531S461-R463 PolarHBondContact O-N 2.78Å; R463-G465 VanDerWaalsContact C-N 3.27Å; R463-G465 PolarHBondContact O-N 3.2Å; R463-Y531 HydrophobicContact CB-CD1 4.06Å; R463-Y531 HydrophobicContact CB-CE1 4Å
464K94.7Very high93Very high27 Ų2742.4 Ų42.412%0.11721%0.207CC..  trans-64.1-35179.3-59.3-55.5-173.6-151.80112.1M459 F500 N501 F502 D532 C533M459-K464 HydrophobicContact CE-CD 4.39Å; M459-K464 VanDerWaalsContact O-CD 3.3Å; M459-K464 WeakPolarHBondContact O-CD 3.23Å; M459-K464 WeakPolarHBondContact O-CE 3.43Å; M459-K464 PolarHBondContact O-NZ 3.27Å; K464-F500 WeakPolarHBondContact CG-O 3.23Å; K464-N501 PolarHBondContact N-O 3.44Å; K464-F502 HydrophobicContact CB-CD1 4.38Å; K464-F502 HydrophobicContact CB-CD2 4.06Å; K464-F502 HydrophobicContact CB-CE1 4.05Å; K464-F502 HydrophobicContact CB-CE2 3.73Å; K464-F502 HydrophobicContact CB-CG 4.38Å; K464-F502 HydrophobicContact CB-CZ 3.72Å; K464-F502 HydrophobicContact CG-CE2 4.24Å; K464-D532 WeakPolarHBondContact O-CA 3.46Å; K464-D532 WeakPolarHBondContact O-CB 3.42Å; K464-D532 PolarHBondContact O-N 3.09Å; K464-C533 PolarHBondContact O-N 3.34Å
465G97Very high93Very high0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans156.4-165.517600000114.1R463 F502 L503 C533R463-G465 VanDerWaalsContact C-N 3.27Å; R463-G465 PolarHBondContact O-N 3.2Å; G465-F502 CarbonylContact O-C 3.57Å; G465-F502 WeakPolarHBondContact O-CA 3.32Å; G465-F502 WeakPolarHBondContact O-CD1 3.28Å; G465-L503 PolarHBondContact O-N 2.98Å; G465-C533 WeakPolarHBondContact CA-O 3.14Å
466I98.3Very high92.3Very high13 Ų1338 Ų387%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-91.3133.1175.2-62.5173.3000108.9L503 L522 T526 Y531 L534 V535I466-L503 HydrophobicContact CG1-CB 4.5Å; I466-L503 HydrophobicContact CG1-CD2 4.4Å; I466-L522 HydrophobicContact CB-CD1 4.46Å; I466-L522 HydrophobicContact CD1-CD1 3.67Å; I466-L522 HydrophobicContact CG2-CD1 4.06Å; I466-T526 HydrophobicContact CD1-CG2 3.83Å; I466-Y531 HydrophobicContact CD1-CD2 4.49Å; I466-Y531 HydrophobicContact CD1-CE2 3.86Å; I466-Y531 HydrophobicContact CG1-CD2 4.35Å; I466-Y531 HydrophobicContact CG1-CE2 3.92Å; I466-L534 HydrophobicContact CB-CD1 4.34Å; I466-V535 PolarHBondContact O-N 3.12Å
467C98.6Very high91.3Very high0 Ų039.2 Ų39.20%019%0.185CC..EExtended strand (participates in β ladder)trans-111.2104.7166.7179.10000108.6F497 F502 L503 V504 K505 V535C467-F497 HydrophobicContact CB-CB 4.11Å; C467-F497 HydrophobicContact CB-CG 4.32Å; C467-F497 VanDerWaalsContact SG-CD2 3.56Å; C467-F502 HydrophobicContact CB-CB 3.91Å; C467-F502 HydrophobicContact CB-CD1 4.06Å; C467-F502 HydrophobicContact CB-CG 4.19Å; C467-L503 PolarHBondContact N-O 3.39Å; C467-V504 HydrophobicContact CB-CG2 4.18Å; C467-V504 CarbonylContact O-C 3.53Å; C467-V504 WeakPolarHBondContact O-CA 3.34Å; C467-K505 PolarHBondContact O-N 3.33Å; C467-V535 CarbonylContact C-O 3.48Å; C467-V535 VanDerWaalsContact CA-O 3.32Å; C467-V535 WeakPolarHBondContact CA-O 3.34Å; C467-V535 HydrophobicContact CB-CB 4.17Å; C467-V535 HydrophobicContact CB-CG1 4.44Å
468L98.8Very high90.1Very high3 Ų340.3 Ų40.32%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-92.1115.5176.1176.662.3000109.8I470 K505 L507 L522 V535 I536 C537L468-I470 HydrophobicContact CD1-CG1 4.38Å; L468-I470 HydrophobicContact CD2-CD1 4.17Å; L468-I470 HydrophobicContact CD2-CG1 4.33Å; L468-I470 HydrophobicContact CG-CD1 4.49Å; L468-I470 HydrophobicContact CG-CG1 4.11Å; L468-K505 WeakPolarHBondContact CA-O 3.29Å; L468-K505 HydrophobicContact CD1-CB 4.2Å; L468-K505 HydrophobicContact CD1-CD 4.12Å; L468-K505 HydrophobicContact CD1-CG 4.09Å; L468-L507 HydrophobicContact CD1-CD1 3.84Å; L468-L507 HydrophobicContact CD1-CG 4.08Å; L468-L522 HydrophobicContact CB-CD2 4.15Å; L468-L522 HydrophobicContact CD2-CD2 3.98Å; L468-V535 PolarHBondContact N-O 3.14Å; L468-I536 HydrophobicContact CB-CG1 4.37Å; L468-I536 CarbonylContact O-C 3.51Å; L468-I536 WeakPolarHBondContact O-CA 3.36Å; L468-C537 PolarHBondContact O-N 3.27Å
469I98.7Very high89.4Confident0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-103.8117174.4-56.6169.3000108.2L493 E494 V504 K505 L506 L507 C537 M539I469-L493 HydrophobicContact CD1-CB 3.64Å; I469-L493 HydrophobicContact CG1-CB 4.44Å; I469-L493 HydrophobicContact CG2-CD1 4.34Å; I469-E494 HydrophobicContact CD1-CG 3.81Å; I469-V504 HydrophobicContact CD1-CG1 3.62Å; I469-V504 HydrophobicContact CG1-CG1 4.3Å; I469-K505 PolarHBondContact N-O 3.17Å; I469-L506 HydrophobicContact CB-CD1 3.95Å; I469-L506 HydrophobicContact CG2-CD1 3.73Å; I469-L507 PolarHBondContact O-N 3.41Å; I469-C537 HydrophobicContact CB-CB 4.43Å; I469-C537 HydrophobicContact CG1-CB 4.11Å; I469-C537 HydrophobicContact CG2-CB 4.34Å; I469-M539 HydrophobicContact CG2-CE 3.8Å
470I98.3Very high88.8Confident4 Ų440.7 Ų40.72%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-106.4109.9170.9-59.9179.8000108.1L468 L507 L510 I515 L519 C537 L538 M539L468-I470 HydrophobicContact CD1-CG1 4.38Å; L468-I470 HydrophobicContact CD2-CD1 4.17Å; L468-I470 HydrophobicContact CD2-CG1 4.33Å; L468-I470 HydrophobicContact CG-CD1 4.49Å; L468-I470 HydrophobicContact CG-CG1 4.11Å; I470-L507 CarbonylContact C-O 3.59Å; I470-L507 WeakPolarHBondContact CA-O 3.41Å; I470-L510 HydrophobicContact CD1-CD1 4.27Å; I470-L510 HydrophobicContact CG1-CD1 4.4Å; I470-L510 HydrophobicContact CG2-CD1 4.2Å; I470-L510 HydrophobicContact CG2-CG 4.42Å; I470-I515 HydrophobicContact CD1-CG1 4.46Å; I470-I515 HydrophobicContact CD1-CG2 4.14Å; I470-I515 HydrophobicContact CG2-CG1 4.23Å; I470-L519 HydrophobicContact CD1-CD1 4.02Å; I470-C537 PolarHBondContact N-O 3.49Å; I470-L538 HydrophobicContact CB-CD2 4.07Å; I470-L538 HydrophobicContact CD1-CD2 3.82Å; I470-L538 HydrophobicContact CG1-CD2 4.23Å; I470-M539 PolarHBondContact O-N 3.41Å
471N96.7Very high88.4Confident0 Ų044.7 Ų44.70%022%0.217CC..EExtended strand (participates in β ladder)trans-110.596.8179.9-169.315.4000111.5M473 C486 E490 L506 L507 R508 N509 M539N471-M473 HydrophobicContact CB-CG 4.44Å; N471-M473 PolarHBondContact ND2-SD 3.21Å; N471-M473 PolarHBondContact O-N 2.93Å; N471-C486 PolarHBondContact ND2-O 3.19Å; N471-C486 VanDerWaalsContact ND2-O 3.13Å; N471-E490 PolarHBondContact ND2-OE2 2.95Å; N471-L506 HydrophobicContact CB-CD1 4.37Å; N471-L507 PolarHBondContact N-O 3.09Å; N471-R508 HydrophobicContact CB-CG 4.45Å; N471-R508 VanDerWaalsContact O-CA 3.27Å; N471-R508 WeakPolarHBondContact O-CA 3.44Å; N471-N509 PolarHBondContact O-N 2.98Å; N471-M539 HydrophobicContact CB-CE 3.59Å; N471-M539 VanDerWaalsContact CG-CE 3.46Å
472N92.9Very high88.1Confident0 Ų044.8 Ų44.80%022%0.216CC..  trans-89.2105.1174-77.31.9000109.5F475 R483 N509 L510 M539 S540 Y548 V550N472-F475 HydrophobicContact CB-CE1 4.37Å; N472-F475 HydrophobicContact CB-CE2 4.3Å; N472-F475 HydrophobicContact CB-CZ 3.72Å; N472-F475 WeakPolarHBondContact O-CE2 3.05Å; N472-R483 WeakPolarHBondContact O-CD 3.35Å; N472-R483 PolarHBondContact O-NH1 2.63Å; N472-N509 WeakPolarHBondContact OD1-CA 3.46Å; N472-N509 PolarHBondContact OD1-N 3.37Å; N472-L510 PolarHBondContact ND2-O 2.63Å; N472-L510 PolarHBondContact OD1-N 2.94Å; N472-M539 PolarHBondContact N-O 3.31Å; N472-S540 WeakPolarHBondContact CB-OG 3.29Å; N472-Y548 PolarHBondContact ND2-O 2.92Å; N472-V550 HydrophobicContact CB-CG1 4.01Å
473M89.4Confident88.2Confident35 Ų3539.2 Ų39.217%0.17218%0.181CC..  trans-105.9-38.7-174.6-39.6-168.8-79.900111.1N471 N482 R483 C486 R508 N509N471-M473 HydrophobicContact CB-CG 4.44Å; N471-M473 PolarHBondContact ND2-SD 3.21Å; N471-M473 PolarHBondContact O-N 2.93Å; M473-N482 CarbonylContact O-C 3.58Å; M473-N482 WeakPolarHBondContact O-CA 3.33Å; M473-R483 PolarHBondContact O-N 2.91Å; M473-C486 WeakPolarHBondContact CB-SG 3.49Å; M473-C486 WeakPolarHBondContact CG-SG 3.27Å; M473-C486 PolarHBondContact SD-SG 3.16Å; M473-R508 HydrophobicContact CE-CB 4.41Å; M473-R508 HydrophobicContact CE-CG 4.22Å; M473-N509 WeakPolarHBondContact CA-OD1 3.35Å; M473-N509 WeakPolarHBondContact CB-OD1 3.45Å; M473-N509 PolarHBondContact N-OD1 3.19Å
474M82Confident87.5Confident26 Ų2636.2 Ų36.213%0.12818%0.179CC..  trans-116.9115.4-170.4-58.8-167.263.800110.4Y160 L165 V169 N482 N509 V550Y160-M474 HydrophobicContact CD2-CE 3.99Å; Y160-M474 HydrophobicContact CE2-CE 3.59Å; L165-M474 HydrophobicContact CD2-CE 4.38Å; V169-M474 HydrophobicContact CB-CE 4.17Å; V169-M474 HydrophobicContact CB-SD 3.9Å; V169-M474 HydrophobicContact CG1-CB 4.49Å; V169-M474 HydrophobicContact CG1-CE 3.7Å; V169-M474 HydrophobicContact CG1-SD 3.46Å; V169-M474 WeakPolarHBondContact CG1-SD 3.2Å; V169-M474 HydrophobicContact CG2-CE 3.4Å; V169-M474 HydrophobicContact CG2-SD 3.33Å; V169-M474 WeakPolarHBondContact CG2-SD 3.39Å; M474-N482 VanDerWaalsContact CA-OD1 3.28Å; M474-N482 WeakPolarHBondContact CA-OD1 3.36Å; M474-N509 PolarHBondContact N-OD1 3.04Å; M474-V550 WeakPolarHBondContact O-CB 3.5Å; M474-V550 WeakPolarHBondContact O-CG1 3.46Å
475F82.9Confident86.7Confident15 Ų1535.2 Ų35.27%0.06618%0.176CC..  trans-106.2132.3-177.4-65.7-100.9000109.3N472 F480 N482 R483 S540 H541 G549N472-F475 HydrophobicContact CB-CE1 4.37Å; N472-F475 HydrophobicContact CB-CE2 4.3Å; N472-F475 HydrophobicContact CB-CZ 3.72Å; N472-F475 WeakPolarHBondContact O-CE2 3.05Å; F475-F480 HydrophobicContact CB-CB 3.63Å; F475-F480 HydrophobicContact CD1-CB 3.94Å; F475-F480 HydrophobicContact CD1-CD2 4.43Å; F475-F480 HydrophobicContact CD1-CG 4.19Å; F475-F480 HydrophobicContact CD2-CB 4.42Å; F475-F480 HydrophobicContact CG-CB 3.73Å; F475-F480 HydrophobicContact CG-CG 4.48Å; F475-N482 PolarHBondContact N-OD1 2.92Å; F475-R483 HydrophobicContact CE2-CG 4.01Å; F475-S540 VanDerWaalsContact CZ-OG 3.26Å; F475-S540 WeakPolarHBondContact CZ-OG 3.36Å; F475-H541 AromaticContact CD1-CD2 3.98Å; F475-H541 AromaticContact CD2-CD2 3.65Å; F475-H541 AromaticContact CD2-NE2 3.97Å; F475-H541 HydrophobicContact CE1-CB 4.34Å; F475-H541 AromaticContact CE1-CD2 3.72Å; F475-H541 AromaticContact CE2-CD2 3.39Å; F475-H541 WeakPolarHBondContact CE2-CD2 3.01Å; F475-H541 AromaticContact CE2-NE2 3.89Å; F475-H541 AromaticContact CG-CD2 3.97Å; F475-H541 HydrophobicContact CZ-CB 4.29Å; F475-H541 AromaticContact CZ-CD2 3.42Å; F475-H541 VanDerWaalsContact CZ-CD2 3.42Å; F475-H541 WeakPolarHBondContact CZ-CD2 3.34Å; F475-G549 WeakPolarHBondContact CD1-O 3.46Å; F475-G549 WeakPolarHBondContact CE1-O 3.18Å
476W76.2Confident85.9Confident122 Ų12235.2 Ų35.246%0.46218%0.176SC..SBendtrans-84.1-31-179.4-43.5-24.9000110.4V550 D551W476-V550 HydrophobicContact CD2-CB 4.47Å; W476-V550 HydrophobicContact CD2-CG2 3.92Å; W476-V550 VanDerWaalsContact CE2-CG2 3.42Å; W476-V550 HydrophobicContact CE3-CG2 4.29Å; W476-V550 HydrophobicContact CH2-CG2 3.79Å; W476-V550 HydrophobicContact CZ2-CG2 3.36Å; W476-V550 HydrophobicContact CZ3-CG2 4.23Å; W476-V550 PolarHBondContact N-O 3.33Å; W476-D551 HydrophobicContact CE3-CB 4.36Å; W476-D551 HydrophobicContact CZ3-CB 4.4Å
477H73.7Confident85.4Confident73 Ų7337.9 Ų37.934%0.33819%0.191SC..SBendtrans-72.6129.6176.5-159-77.7000110.8D479 F480H477-D479 VanDerWaalsContact CE1-CG 3.41Å; H477-D479 IonicContact CE1-OD1 3.66Å; H477-D479 IonicContact CE1-OD2 3.84Å; H477-D479 PolarHBondContact CE1-OD2 3.41Å; H477-D479 IonicContact ND1-OD1 3.72Å; H477-D479 IonicContact ND1-OD2 3.56Å; H477-D479 PolarHBondContact ND1-OD2 3.02Å; H477-D479 PolarHBondContact O-N 3.08Å; H477-F480 HydrophobicContact CB-CD2 4.16Å; H477-F480 PolarHBondContact O-N 3.43Å
478S71.9Confident85.1Confident35 Ų3540.2 Ų40.225%0.24520%0.203CC..THydrogen-bonded Turntrans-64-23.1-171.248.20000115.8K123 F480K123-S478 VanDerWaalsContact CE-OG 3.3Å; K123-S478 WeakPolarHBondContact CE-OG 3Å; K123-S478 PolarHBondContact NZ-OG 2.97Å; S478-F480 PolarHBondContact O-N 2.81Å
479D76.9Confident84.9Confident107 Ų10740.1 Ų40.157%0.57220%0.202SC*.THydrogen-bonded Turntrans-70.7-15.4-177.7-59.50.8000111.5H477H477-D479 VanDerWaalsContact CE1-CG 3.41Å; H477-D479 IonicContact CE1-OD1 3.66Å; H477-D479 IonicContact CE1-OD2 3.84Å; H477-D479 PolarHBondContact CE1-OD2 3.41Å; H477-D479 IonicContact ND1-OD1 3.72Å; H477-D479 IonicContact ND1-OD2 3.56Å; H477-D479 PolarHBondContact ND1-OD2 3.02Å; H477-D479 PolarHBondContact O-N 3.08Å
480F81.2Confident84.8Confident38 Ų3840.1 Ų40.117%0.16720%0.202CC..SBendtrans-112.8126.4-176.9-62.4-70.4000111.5F475 H477 S478 H541 Y548F475-F480 HydrophobicContact CB-CB 3.63Å; F475-F480 HydrophobicContact CD1-CB 3.94Å; F475-F480 HydrophobicContact CD1-CD2 4.43Å; F475-F480 HydrophobicContact CD1-CG 4.19Å; F475-F480 HydrophobicContact CD2-CB 4.42Å; F475-F480 HydrophobicContact CG-CB 3.73Å; F475-F480 HydrophobicContact CG-CG 4.48Å; H477-F480 HydrophobicContact CB-CD2 4.16Å; H477-F480 PolarHBondContact O-N 3.43Å; S478-F480 PolarHBondContact O-N 2.81Å; F480-H541 HydrophobicContact CD1-CB 3.75Å; F480-H541 AromaticContact CD1-CD2 3.56Å; F480-H541 AromaticContact CD1-CG 3.64Å; F480-H541 HydrophobicContact CE1-CB 4.02Å; F480-H541 AromaticContact CG-CD2 3.89Å; F480-Y548 HydrophobicContact CE1-CD1 4.18Å; F480-Y548 AromaticContact CE1-CD2 3.96Å; F480-Y548 HydrophobicContact CE1-CD2 3.96Å; F480-Y548 HydrophobicContact CE1-CE1 4.21Å; F480-Y548 HydrophobicContact CE1-CE2 4.01Å; F480-Y548 HydrophobicContact CE1-CG 4.04Å; F480-Y548 AromaticContact CE2-CD1 3.75Å; F480-Y548 HydrophobicContact CE2-CD1 3.75Å; F480-Y548 AromaticContact CE2-CE1 3.91Å; F480-Y548 HydrophobicContact CE2-CE1 3.91Å; F480-Y548 HydrophobicContact CE2-CG 4.27Å; F480-Y548 AromaticContact CZ-CD1 3.4Å; F480-Y548 HydrophobicContact CZ-CD1 3.4Å; F480-Y548 VanDerWaalsContact CZ-CD1 3.4Å; F480-Y548 AromaticContact CZ-CD2 3.98Å; F480-Y548 HydrophobicContact CZ-CD2 3.98Å; F480-Y548 AromaticContact CZ-CE1 3.3Å; F480-Y548 HydrophobicContact CZ-CE1 3.3Å; F480-Y548 AromaticContact CZ-CE2 3.91Å; F480-Y548 HydrophobicContact CZ-CE2 3.91Å; F480-Y548 AromaticContact CZ-CG 3.73Å; F480-Y548 HydrophobicContact CZ-CG 3.73Å; F480-Y548 AromaticContact CZ-CZ 3.58Å
481Q81.9Confident84.7Confident156 Ų15645.6 Ų45.673%0.72923%0.226SC*.  trans-74.7147.4170.7-62.7178.82.800110.9H541Q481-H541 PolarHBondContact O-NE2 3.37Å
482N84.3Confident84.7Confident32 Ų3247 Ų4717%0.17124%0.235CC..  trans-64.5144171.3-67.4-31.9000111.4M473 M474 F475 S484M473-N482 CarbonylContact O-C 3.58Å; M473-N482 WeakPolarHBondContact O-CA 3.33Å; M474-N482 VanDerWaalsContact CA-OD1 3.28Å; M474-N482 WeakPolarHBondContact CA-OD1 3.36Å; F475-N482 PolarHBondContact N-OD1 2.92Å; N482-S484 PolarHBondContact O-N 3.14Å
483R86.9Confident85Confident10 Ų1047 Ų474%0.03824%0.235CC..  trans-97.470.8-172.5-63.6176.360.9-103.7-4.2111.7N472 M473 F475 C486 M539 S540N472-R483 WeakPolarHBondContact O-CD 3.35Å; N472-R483 PolarHBondContact O-NH1 2.63Å; M473-R483 PolarHBondContact O-N 2.91Å; F475-R483 HydrophobicContact CE2-CG 4.01Å; R483-C486 PolarHBondContact O-SG 3.36Å; R483-M539 PolarHBondContact NH1-O 3.45Å; R483-S540 PolarHBondContact NE-O 3.46Å
484S76.3Confident85.4Confident65 Ų6548.3 Ų48.346%0.45524%0.241SC..THydrogen-bonded Turntrans-51.4145.8176.548.20000114.6N482 C486 R682N482-S484 PolarHBondContact O-N 3.14Å; S484-C486 VanDerWaalsContact C-N 3.28Å; S484-C486 PolarHBondContact O-N 3.17Å; S484-R682 VanDerWaalsContact N-NH1 3.13Å; S484-R682 WeakPolarHBondContact O-CD 3.43Å; S484-R682 PolarHBondContact O-NH1 3.42Å; S484-R682 PolarHBondContact OG-NH1 3.31Å
485G76.9Confident86.2Confident5 Ų552.7 Ų52.75%0.05227%0.265CS..THydrogen-bonded Turntrans80-4.6177.100000116D487 I488 P684 G687G485-D487 WeakPolarHBondContact CA-OD1 3.19Å; G485-D487 PolarHBondContact O-N 2.94Å; G485-I488 WeakPolarHBondContact O-CB 3.47Å; G485-I488 PolarHBondContact O-N 2.9Å; G485-P684 WeakPolarHBondContact CA-O 3.44Å; G485-G687 WeakPolarHBondContact O-CA 3.44Å
486C81.7Confident86.9Confident1 Ų152.2 Ų52.21%0.00726%0.264CS..Hα-helixtrans-73.4-10.8174.562.70000113.8N471 M473 R483 S484 I488 D489 E490N471-C486 PolarHBondContact ND2-O 3.19Å; N471-C486 VanDerWaalsContact ND2-O 3.13Å; M473-C486 WeakPolarHBondContact CB-SG 3.49Å; M473-C486 WeakPolarHBondContact CG-SG 3.27Å; M473-C486 PolarHBondContact SD-SG 3.16Å; R483-C486 PolarHBondContact O-SG 3.36Å; S484-C486 VanDerWaalsContact C-N 3.28Å; S484-C486 PolarHBondContact O-N 3.17Å; C486-I488 PolarHBondContact O-N 2.8Å; C486-D489 PolarHBondContact O-N 2.85Å; C486-E490 WeakPolarHBondContact O-CB 3.33Å; C486-E490 PolarHBondContact O-N 3.29Å
487D86.7Confident87.9Confident69 Ų6946.4 Ų46.437%0.36924%0.241SC..Hα-helixtrans-69.1-22.6168.762.4-52.7000112.2G485 K491G485-D487 WeakPolarHBondContact CA-OD1 3.19Å; G485-D487 PolarHBondContact O-N 2.94Å; D487-K491 WeakPolarHBondContact O-CG 3.49Å; D487-K491 PolarHBondContact O-N 3.35Å
488I92.6Very high89Confident49 Ų4944.7 Ų44.725%0.25124%0.243SC..Hα-helixtrans-73.9-46.8172.7-54.3171.2000109.7G485 C486 E490 K491 S492 T685G485-I488 WeakPolarHBondContact O-CB 3.47Å; G485-I488 PolarHBondContact O-N 2.9Å; C486-I488 PolarHBondContact O-N 2.8Å; I488-E490 VanDerWaalsContact C-N 3.29Å; I488-E490 PolarHBondContact O-N 3.29Å; I488-K491 PolarHBondContact O-N 3.25Å; I488-S492 PolarHBondContact O-N 3.35Å; I488-S492 PolarHBondContact O-OG 3.49Å; I488-T685 WeakPolarHBondContact CD1-O 3.27Å
489D95.8Very high90.1Very high0 Ų046.5 Ų46.50%026%0.256CS..Hα-helixtrans-57.5-44.7175-69.3-27.1000111.8C486 S492 L493 M539 G687 T688 I691 Q692C486-D489 PolarHBondContact O-N 2.85Å; D489-S492 PolarHBondContact O-N 2.95Å; D489-L493 WeakPolarHBondContact O-CG 3.39Å; D489-L493 PolarHBondContact O-N 2.87Å; D489-M539 HydrophobicContact CB-CE 4.48Å; D489-M539 HydrophobicContact CB-SD 3.88Å; D489-G687 VanDerWaalsContact OD1-CA 3.25Å; D489-G687 WeakPolarHBondContact OD1-CA 3.45Å; D489-T688 PolarHBondContact OD1-N 3.38Å; D489-T688 VanDerWaalsContact OD2-CG2 3.23Å; D489-T688 WeakPolarHBondContact OD2-CG2 3.39Å; D489-T688 PolarHBondContact OD2-N 2.91Å; D489-T688 PolarHBondContact OD2-OG1 2.82Å; D489-I691 HydrophobicContact CB-CB 4.12Å; D489-I691 HydrophobicContact CB-CG1 4.49Å; D489-I691 HydrophobicContact CB-CG2 3.7Å; D489-Q692 PolarHBondContact OD1-NE2 2.92Å
490E95.1Very high91Very high1 Ų142.3 Ų42.31%0.00523%0.233CC..Hα-helixtrans-55.1-53.5176.5-172.7-173.99000112.4N471 C486 I488 S492 L493 E494 L506 R508 M539N471-E490 PolarHBondContact ND2-OE2 2.95Å; C486-E490 WeakPolarHBondContact O-CB 3.33Å; C486-E490 PolarHBondContact O-N 3.29Å; I488-E490 VanDerWaalsContact C-N 3.29Å; I488-E490 PolarHBondContact O-N 3.29Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.1Å; E490-L493 PolarHBondContact O-N 3.29Å; E490-E494 WeakPolarHBondContact O-CG 3.41Å; E490-E494 PolarHBondContact O-N 3.06Å; E490-L506 HydrophobicContact CG-CD1 3.45Å; E490-L506 VanDerWaalsContact CG-CD1 3.45Å; E490-L506 HydrophobicContact CG-CD2 3.53Å; E490-L506 HydrophobicContact CG-CG 4.12Å; E490-L506 WeakPolarHBondContact OE1-CD2 3.42Å; E490-R508 VanDerWaalsContact CD-NE 3.26Å; E490-R508 IonicContact OE1-CZ 3.76Å; E490-R508 IonicContact OE1-NE 3.12Å; E490-R508 PolarHBondContact OE1-NE 2.85Å; E490-R508 IonicContact OE1-NH2 2.77Å; E490-R508 PolarHBondContact OE1-NH2 3.29Å; E490-R508 WeakPolarHBondContact OE2-CG 3.16Å; E490-R508 IonicContact OE2-CZ 3.87Å; E490-R508 IonicContact OE2-NE 3.07Å; E490-R508 PolarHBondContact OE2-NE 3.22Å; E490-R508 IonicContact OE2-NH2 2.56Å; E490-M539 HydrophobicContact CB-CE 4.29Å
491K96.7Very high91.6Very high119 Ų11945.2 Ų45.252%0.51725%0.25SC..Hα-helixtrans-61.1-40.7177.7-72.8171.1-176.8167.10112.1D487 I488 L493 E494 N495D487-K491 WeakPolarHBondContact O-CG 3.49Å; D487-K491 PolarHBondContact O-N 3.35Å; I488-K491 PolarHBondContact O-N 3.25Å; K491-L493 VanDerWaalsContact C-N 3.35Å; K491-E494 PolarHBondContact O-N 3.42Å; K491-N495 WeakPolarHBondContact O-CB 3.07Å; K491-N495 PolarHBondContact O-N 3.26Å; K491-N495 PolarHBondContact O-ND2 3.01Å
492S97.8Very high92.4Very high28 Ų2838.3 Ų38.320%0.19622%0.218CC..Hα-helixtrans-61.6-43.4177.6-68.90000111.5I488 D489 E490 V496 Q692 C695I488-S492 PolarHBondContact O-N 3.35Å; I488-S492 PolarHBondContact O-OG 3.49Å; D489-S492 PolarHBondContact O-N 2.95Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.1Å; S492-V496 WeakPolarHBondContact O-CG1 3.45Å; S492-V496 PolarHBondContact O-N 3.18Å; S492-V496 VanDerWaalsContact O-N 3.09Å; S492-Q692 PolarHBondContact OG-NE2 3.22Å; S492-Q692 PolarHBondContact OG-OE1 3.45Å; S492-C695 VanDerWaalsContact C-SG 3.6Å
493L98.4Very high93Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-67.3-46.2177.1-71.9167.6000112.1I469 D489 E490 K491 N495 V496 F497 C537 M539 I691I469-L493 HydrophobicContact CD1-CB 3.64Å; I469-L493 HydrophobicContact CG1-CB 4.44Å; I469-L493 HydrophobicContact CG2-CD1 4.34Å; D489-L493 WeakPolarHBondContact O-CG 3.39Å; D489-L493 PolarHBondContact O-N 2.87Å; E490-L493 PolarHBondContact O-N 3.29Å; K491-L493 VanDerWaalsContact C-N 3.35Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 2.9Å; L493-V496 PolarHBondContact O-N 2.95Å; L493-F497 HydrophobicContact CD2-CD2 4.3Å; L493-F497 HydrophobicContact CD2-CE2 3.81Å; L493-F497 WeakPolarHBondContact O-CD2 3.35Å; L493-F497 PolarHBondContact O-N 2.83Å; L493-F497 VanDerWaalsContact O-N 3.07Å; L493-C537 HydrophobicContact CD1-CB 4.11Å; L493-M539 HydrophobicContact CD1-CE 3.96Å; L493-M539 HydrophobicContact CD1-SD 3.58Å; L493-M539 VanDerWaalsContact CD1-SD 3.58Å; L493-I691 HydrophobicContact CD1-CD1 4.29Å; L493-I691 HydrophobicContact CD1-CG2 3.91Å; L493-I691 HydrophobicContact CD2-CD1 4.48Å; L493-I691 HydrophobicContact CD2-CG2 4.06Å; L493-I691 HydrophobicContact CG-CG2 3.72Å
494E98.3Very high93.5Very high63 Ų6342.1 Ų42.129%0.29424%0.24SC..Hα-helixtrans-57-46.4177.2-73.9-174.9106.400111.3I469 E490 K491 G498 V504 L506I469-E494 HydrophobicContact CD1-CG 3.81Å; E490-E494 WeakPolarHBondContact O-CG 3.41Å; E490-E494 PolarHBondContact O-N 3.06Å; K491-E494 PolarHBondContact O-N 3.42Å; E494-G498 WeakPolarHBondContact O-CA 3.25Å; E494-G498 PolarHBondContact O-N 3.44Å; E494-V504 HydrophobicContact CB-CG1 4.44Å; E494-V504 HydrophobicContact CG-CG1 3.98Å; E494-L506 WeakPolarHBondContact OE1-CD2 3.23Å; E494-L506 WeakPolarHBondContact OE2-CD2 3.41Å
495N97.9Very high94.6Very high119 Ų11943.1 Ų43.164%0.63624%0.236SC*.Hα-helixtrans-64.5-48-179.8-71.3-21.8000112.3K491 L493 S499K491-N495 WeakPolarHBondContact O-CB 3.07Å; K491-N495 PolarHBondContact O-N 3.26Å; K491-N495 PolarHBondContact O-ND2 3.01Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 2.9Å; N495-S499 WeakPolarHBondContact O-CB 3.43Å; N495-S499 PolarHBondContact O-N 3.49Å
496V97.6Very high95.6Very high5 Ų544.4 Ų44.43%0.0324%0.241CC..Hα-helixtrans-70.3-44.2-173.974.90000111.8S492 L493 S499 F500 C695 L698 H699S492-V496 WeakPolarHBondContact O-CG1 3.45Å; S492-V496 PolarHBondContact O-N 3.18Å; S492-V496 VanDerWaalsContact O-N 3.09Å; L493-V496 PolarHBondContact O-N 2.95Å; V496-S499 PolarHBondContact O-N 2.9Å; V496-S499 PolarHBondContact O-OG 3.13Å; V496-F500 HydrophobicContact CG2-CE2 3.94Å; V496-F500 HydrophobicContact CG2-CZ 4.42Å; V496-F500 WeakPolarHBondContact O-CD2 3.2Å; V496-F500 PolarHBondContact O-N 3.45Å; V496-C695 HydrophobicContact CG1-CB 4.22Å; V496-L698 HydrophobicContact CG1-CD1 4.25Å; V496-L698 HydrophobicContact CG2-CB 3.62Å; V496-H699 HydrophobicContact CG2-CB 4.09Å
497F97.6Very high96.2Very high0 Ų046 Ų460%025%0.25CC..Hα-helixtrans-73-34177.6-73.8-68000112C467 L493 S499 F500 N501 F502 V504 V535 F580 L698 F754C467-F497 HydrophobicContact CB-CB 4.11Å; C467-F497 HydrophobicContact CB-CG 4.32Å; C467-F497 VanDerWaalsContact SG-CD2 3.56Å; L493-F497 HydrophobicContact CD2-CD2 4.3Å; L493-F497 HydrophobicContact CD2-CE2 3.81Å; L493-F497 WeakPolarHBondContact O-CD2 3.35Å; L493-F497 PolarHBondContact O-N 2.83Å; L493-F497 VanDerWaalsContact O-N 3.07Å; F497-S499 VanDerWaalsContact C-N 3.28Å; F497-S499 PolarHBondContact O-N 2.96Å; F497-F500 CarbonylContact O-C 3.48Å; F497-F500 PolarHBondContact O-N 2.89Å; F497-F500 VanDerWaalsContact O-N 3.12Å; F497-N501 PolarHBondContact O-N 2.83Å; F497-F502 HydrophobicContact CB-CB 4.25Å; F497-F502 HydrophobicContact CB-CD2 4.31Å; F497-F502 HydrophobicContact CB-CG 4.4Å; F497-F502 AromaticContact CD1-CD2 3.99Å; F497-F502 HydrophobicContact CD1-CD2 3.99Å; F497-F502 HydrophobicContact CD1-CE2 4.06Å; F497-F502 HydrophobicContact CD1-CG 4.42Å; F497-F502 WeakPolarHBondContact O-CB 3.39Å; F497-F502 WeakPolarHBondContact O-CD2 3.5Å; F497-F502 PolarHBondContact O-N 2.87Å; F497-V504 HydrophobicContact CB-CG2 3.99Å; F497-V535 HydrophobicContact CD1-CG1 4.4Å; F497-V535 HydrophobicContact CD1-CG2 4.45Å; F497-V535 HydrophobicContact CE1-CB 4.47Å; F497-V535 HydrophobicContact CE1-CG1 3.87Å; F497-V535 HydrophobicContact CE1-CG2 4.02Å; F497-V535 HydrophobicContact CE2-CG1 4.15Å; F497-V535 HydrophobicContact CZ-CG1 3.73Å; F497-F580 HydrophobicContact CE1-CE2 4.5Å; F497-F580 HydrophobicContact CZ-CD2 4.18Å; F497-F580 AromaticContact CZ-CE2 3.8Å; F497-F580 HydrophobicContact CZ-CE2 3.8Å; F497-L698 HydrophobicContact CE1-CD1 4.39Å; F497-L698 HydrophobicContact CE2-CD1 4.41Å; F497-L698 HydrophobicContact CZ-CD1 3.92Å; F497-F754 HydrophobicContact CE1-CE2 4.35Å; F497-F754 HydrophobicContact CE1-CZ 4.34Å
498G96.8Very high96.6Very high36 Ų3647.2 Ų47.237%0.37125%0.249SC..Hα-helixtrans-58.8-39.817000000112.2E494 F500 N501E494-G498 WeakPolarHBondContact O-CA 3.25Å; E494-G498 PolarHBondContact O-N 3.44Å; G498-F500 PolarHBondContact O-N 3.26Å; G498-N501 PolarHBondContact O-N 3.08Å
499S95.4Very high96.5Very high74 Ų7445.8 Ų45.852%0.51724%0.242SC..Hα-helixtrans-65.7-21.2176.978.40000114.1N495 V496 F497 N501N495-S499 WeakPolarHBondContact O-CB 3.43Å; N495-S499 PolarHBondContact O-N 3.49Å; V496-S499 PolarHBondContact O-N 2.9Å; V496-S499 PolarHBondContact O-OG 3.13Å; F497-S499 VanDerWaalsContact C-N 3.28Å; F497-S499 PolarHBondContact O-N 2.96Å; S499-N501 VanDerWaalsContact C-N 3.32Å
500F94.9Very high96.3Very high18 Ų1846.7 Ų46.78%0.07925%0.247CC..THydrogen-bonded Turntrans-93.816.1171.7-59.7-43.7000113K464 V496 F497 G498 F502 L698 F754 K755K464-F500 WeakPolarHBondContact CG-O 3.23Å; V496-F500 HydrophobicContact CG2-CE2 3.94Å; V496-F500 HydrophobicContact CG2-CZ 4.42Å; V496-F500 WeakPolarHBondContact O-CD2 3.2Å; V496-F500 PolarHBondContact O-N 3.45Å; F497-F500 CarbonylContact O-C 3.48Å; F497-F500 PolarHBondContact O-N 2.89Å; F497-F500 VanDerWaalsContact O-N 3.12Å; G498-F500 PolarHBondContact O-N 3.26Å; F500-F502 VanDerWaalsContact C-N 3.29Å; F500-F502 HydrophobicContact CB-CD2 3.79Å; F500-F502 HydrophobicContact CB-CE2 3.85Å; F500-F502 PolarHBondContact O-N 2.61Å; F500-L698 HydrophobicContact CE2-CB 4.13Å; F500-L698 HydrophobicContact CE2-CD2 4.37Å; F500-L698 WeakPolarHBondContact CZ-O 3.45Å; F500-F754 HydrophobicContact CD1-CB 4.21Å; F500-F754 HydrophobicContact CD2-CB 4.07Å; F500-F754 HydrophobicContact CD2-CD2 4.27Å; F500-F754 HydrophobicContact CD2-CG 4.29Å; F500-F754 HydrophobicContact CE1-CB 4.44Å; F500-F754 HydrophobicContact CE2-CB 4.27Å; F500-F754 HydrophobicContact CE2-CD2 4.21Å; F500-F754 HydrophobicContact CG-CB 4.03Å; F500-F754 HydrophobicContact CZ-CB 4.46Å; F500-K755 HydrophobicContact CD1-CG 4.26Å; F500-K755 HydrophobicContact CE1-CD 4.22Å; F500-K755 HydrophobicContact CE1-CG 3.58Å; F500-K755 HydrophobicContact CZ-CG 4.35Å
501N95.1Very high96Very high99 Ų9947.5 Ų47.553%0.52925%0.253SS..THydrogen-bonded Turntrans59.234.7178.3-143.525000114.6T462 K464 F497 G498 S499T462-N501 PolarHBondContact O-ND2 3.11Å; K464-N501 PolarHBondContact N-O 3.44Å; F497-N501 PolarHBondContact O-N 2.83Å; G498-N501 PolarHBondContact O-N 3.08Å; S499-N501 VanDerWaalsContact C-N 3.32Å
502F97.4Very high95.9Very high12 Ų1242.1 Ų42.15%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-77.1146.1165.3-76.6-97.3000110.9K464 G465 C467 F497 F500 V504 C533 V535 F754K464-F502 HydrophobicContact CB-CD1 4.38Å; K464-F502 HydrophobicContact CB-CD2 4.06Å; K464-F502 HydrophobicContact CB-CE1 4.05Å; K464-F502 HydrophobicContact CB-CE2 3.73Å; K464-F502 HydrophobicContact CB-CG 4.38Å; K464-F502 HydrophobicContact CB-CZ 3.72Å; K464-F502 HydrophobicContact CG-CE2 4.24Å; G465-F502 CarbonylContact O-C 3.57Å; G465-F502 WeakPolarHBondContact O-CA 3.32Å; G465-F502 WeakPolarHBondContact O-CD1 3.28Å; C467-F502 HydrophobicContact CB-CB 3.91Å; C467-F502 HydrophobicContact CB-CD1 4.06Å; C467-F502 HydrophobicContact CB-CG 4.19Å; F497-F502 HydrophobicContact CB-CB 4.25Å; F497-F502 HydrophobicContact CB-CD2 4.31Å; F497-F502 HydrophobicContact CB-CG 4.4Å; F497-F502 AromaticContact CD1-CD2 3.99Å; F497-F502 HydrophobicContact CD1-CD2 3.99Å; F497-F502 HydrophobicContact CD1-CE2 4.06Å; F497-F502 HydrophobicContact CD1-CG 4.42Å; F497-F502 WeakPolarHBondContact O-CB 3.39Å; F497-F502 WeakPolarHBondContact O-CD2 3.5Å; F497-F502 PolarHBondContact O-N 2.87Å; F500-F502 VanDerWaalsContact C-N 3.29Å; F500-F502 HydrophobicContact CB-CD2 3.79Å; F500-F502 HydrophobicContact CB-CE2 3.85Å; F500-F502 PolarHBondContact O-N 2.61Å; F502-V504 HydrophobicContact CB-CG2 4.27Å; F502-V504 PolarHBondContact O-N 2.76Å; F502-V504 VanDerWaalsContact O-N 3.08Å; F502-C533 VanDerWaalsContact CE1-SG 3.51Å; F502-C533 VanDerWaalsContact CZ-SG 3.51Å; F502-V535 HydrophobicContact CD1-CG2 4.3Å; F502-V535 HydrophobicContact CE1-CB 4.34Å; F502-V535 HydrophobicContact CE1-CG2 3.57Å; F502-V535 HydrophobicContact CZ-CG2 3.87Å; F502-F754 HydrophobicContact CE2-CD1 4Å; F502-F754 HydrophobicContact CE2-CE1 4.07Å; F502-F754 AromaticContact CZ-CD1 3.98Å; F502-F754 HydrophobicContact CZ-CD1 3.98Å; F502-F754 AromaticContact CZ-CE1 3.67Å; F502-F754 HydrophobicContact CZ-CE1 3.67Å; F502-F754 HydrophobicContact CZ-CZ 4.45Å
503L97Very high95.4Very high82 Ų8243 Ų4343%0.42924%0.243SC..EExtended strand (participates in β ladder)trans-76.293.1162.5-174.169.6000108.5G465 I466 C467 K505G465-L503 PolarHBondContact O-N 2.98Å; I466-L503 HydrophobicContact CG1-CB 4.5Å; I466-L503 HydrophobicContact CG1-CD2 4.4Å; C467-L503 PolarHBondContact N-O 3.39Å; L503-K505 PolarHBondContact O-N 2.68Å
504V98.2Very high95.3Very high40 Ų4047 Ų4724%0.24226%0.262CS..EExtended strand (participates in β ladder)trans-78.6122.1-179.3-172.70000110.4C467 I469 E494 F497 F502C467-V504 HydrophobicContact CB-CG2 4.18Å; C467-V504 CarbonylContact O-C 3.53Å; C467-V504 WeakPolarHBondContact O-CA 3.34Å; I469-V504 HydrophobicContact CD1-CG1 3.62Å; I469-V504 HydrophobicContact CG1-CG1 4.3Å; E494-V504 HydrophobicContact CB-CG1 4.44Å; E494-V504 HydrophobicContact CG-CG1 3.98Å; F497-V504 HydrophobicContact CB-CG2 3.99Å; F502-V504 HydrophobicContact CB-CG2 4.27Å; F502-V504 PolarHBondContact O-N 2.76Å; F502-V504 VanDerWaalsContact O-N 3.08Å
505K98.1Very high95.3Very high85 Ų8544.1 Ų44.137%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-114.7113.7173.2-176.9178.3176.3-169.20108.9C467 L468 I469 L503 L507C467-K505 PolarHBondContact O-N 3.33Å; L468-K505 WeakPolarHBondContact CA-O 3.29Å; L468-K505 HydrophobicContact CD1-CB 4.2Å; L468-K505 HydrophobicContact CD1-CD 4.12Å; L468-K505 HydrophobicContact CD1-CG 4.09Å; I469-K505 PolarHBondContact N-O 3.17Å; L503-K505 PolarHBondContact O-N 2.68Å; K505-L507 HydrophobicContact CG-CD2 4.48Å; K505-L507 HydrophobicContact CG-CG 4.45Å
506L97.8Very high95.2Very high33 Ų3342.4 Ų42.417%0.17324%0.237CC..EExtended strand (participates in β ladder)trans-100.2123.5177.6172.262.7000111.7I469 N471 E490 E494 R508I469-L506 HydrophobicContact CB-CD1 3.95Å; I469-L506 HydrophobicContact CG2-CD1 3.73Å; N471-L506 HydrophobicContact CB-CD1 4.37Å; E490-L506 HydrophobicContact CG-CD1 3.45Å; E490-L506 VanDerWaalsContact CG-CD1 3.45Å; E490-L506 HydrophobicContact CG-CD2 3.53Å; E490-L506 HydrophobicContact CG-CG 4.12Å; E490-L506 WeakPolarHBondContact OE1-CD2 3.42Å; E494-L506 WeakPolarHBondContact OE1-CD2 3.23Å; E494-L506 WeakPolarHBondContact OE2-CD2 3.41Å; L506-R508 HydrophobicContact CD1-CG 4.37Å; L506-R508 VanDerWaalsContact CD2-CZ 3.47Å; L506-R508 HydrophobicContact CG-CG 4.44Å
507L96.1Very high95.2Very high35 Ų3544.5 Ų44.518%0.18326%0.255CS..EExtended strand (participates in β ladder)trans-121.3137173-57.3-179.3000109.8L468 I469 I470 N471 K505 L510 Q518L468-L507 HydrophobicContact CD1-CD1 3.84Å; L468-L507 HydrophobicContact CD1-CG 4.08Å; I469-L507 PolarHBondContact O-N 3.41Å; I470-L507 CarbonylContact C-O 3.59Å; I470-L507 WeakPolarHBondContact CA-O 3.41Å; N471-L507 PolarHBondContact N-O 3.09Å; K505-L507 HydrophobicContact CG-CD2 4.48Å; K505-L507 HydrophobicContact CG-CG 4.45Å; L507-L510 HydrophobicContact CB-CD1 3.86Å; L507-L510 HydrophobicContact CB-CD2 4.41Å; L507-L510 HydrophobicContact CB-CG 4.22Å; L507-L510 HydrophobicContact CD1-CD1 3.87Å; L507-Q518 HydrophobicContact CD1-CB 4.12Å; L507-Q518 HydrophobicContact CD1-CG 3.58Å
508R94.1Very high95.2Very high93 Ų9347.3 Ų47.335%0.35127%0.268SS..EExtended strand (participates in β ladder)trans-119.6144.4-176.4-66.7176.8-178.5109.9-20110.7N471 M473 E490 L506 L510N471-R508 HydrophobicContact CB-CG 4.45Å; N471-R508 VanDerWaalsContact O-CA 3.27Å; N471-R508 WeakPolarHBondContact O-CA 3.44Å; M473-R508 HydrophobicContact CE-CB 4.41Å; M473-R508 HydrophobicContact CE-CG 4.22Å; E490-R508 VanDerWaalsContact CD-NE 3.26Å; E490-R508 IonicContact OE1-CZ 3.76Å; E490-R508 IonicContact OE1-NE 3.12Å; E490-R508 PolarHBondContact OE1-NE 2.85Å; E490-R508 IonicContact OE1-NH2 2.77Å; E490-R508 PolarHBondContact OE1-NH2 3.29Å; E490-R508 WeakPolarHBondContact OE2-CG 3.16Å; E490-R508 IonicContact OE2-CZ 3.87Å; E490-R508 IonicContact OE2-NE 3.07Å; E490-R508 PolarHBondContact OE2-NE 3.22Å; E490-R508 IonicContact OE2-NH2 2.56Å; L506-R508 HydrophobicContact CD1-CG 4.37Å; L506-R508 VanDerWaalsContact CD2-CZ 3.47Å; L506-R508 HydrophobicContact CG-CG 4.44Å; R508-L510 PolarHBondContact O-N 3.5Å
509N90.6Very high95.3Very high20 Ų2045.6 Ų45.611%0.10725%0.25CS..SBendtrans52.550.7168.3-56.5-34.5000114.4N471 N472 M473 M474 V550N471-N509 PolarHBondContact O-N 2.98Å; N472-N509 WeakPolarHBondContact OD1-CA 3.46Å; N472-N509 PolarHBondContact OD1-N 3.37Å; M473-N509 WeakPolarHBondContact CA-OD1 3.35Å; M473-N509 WeakPolarHBondContact CB-OD1 3.45Å; M473-N509 PolarHBondContact N-OD1 3.19Å; M474-N509 PolarHBondContact N-OD1 3.04Å; N509-V550 VanDerWaalsContact C-CG1 3.49Å; N509-V550 VanDerWaalsContact CA-CG1 3.44Å; N509-V550 HydrophobicContact CB-CG1 3.86Å; N509-V550 WeakPolarHBondContact O-CG2 3.38Å
510L92.1Very high95.4Very high18 Ų1845.1 Ų45.19%0.09424%0.24CC..  trans-84.6137.7178.1-60.1-171000111.3I470 N472 L507 R508 E514 I515 Q518 G549 V550I470-L510 HydrophobicContact CD1-CD1 4.27Å; I470-L510 HydrophobicContact CG1-CD1 4.4Å; I470-L510 HydrophobicContact CG2-CD1 4.2Å; I470-L510 HydrophobicContact CG2-CG 4.42Å; N472-L510 PolarHBondContact ND2-O 2.63Å; N472-L510 PolarHBondContact OD1-N 2.94Å; L507-L510 HydrophobicContact CB-CD1 3.86Å; L507-L510 HydrophobicContact CB-CD2 4.41Å; L507-L510 HydrophobicContact CB-CG 4.22Å; L507-L510 HydrophobicContact CD1-CD1 3.87Å; R508-L510 PolarHBondContact O-N 3.5Å; L510-E514 HydrophobicContact CB-CB 3.94Å; L510-E514 HydrophobicContact CD2-CB 4.21Å; L510-E514 HydrophobicContact CG-CB 4.44Å; L510-I515 HydrophobicContact CB-CG1 3.67Å; L510-I515 HydrophobicContact CD1-CG1 4.35Å; L510-Q518 HydrophobicContact CD1-CG 4.02Å; L510-G549 WeakPolarHBondContact O-CA 3.49Å; L510-V550 PolarHBondContact O-N 3.38Å
511S88.9Confident95.5Very high19 Ų1949 Ų4913%0.13326%0.258CS..  trans-64.5165.6165.860.90000111.2G513 E514 I515 D551S511-G513 VanDerWaalsContact C-N 3.3Å; S511-G513 PolarHBondContact O-N 2.96Å; S511-E514 WeakPolarHBondContact CB-OE2 3.44Å; S511-E514 PolarHBondContact N-OE2 2.97Å; S511-E514 PolarHBondContact O-N 3.29Å; S511-E514 VanDerWaalsContact O-N 3.16Å; S511-E514 WeakPolarHBondContact OG-CB 3.39Å; S511-E514 VanDerWaalsContact OG-CD 3.28Å; S511-E514 WeakPolarHBondContact OG-CG 3.39Å; S511-E514 PolarHBondContact OG-N 3.01Å; S511-E514 PolarHBondContact OG-OE2 2.83Å; S511-I515 WeakPolarHBondContact O-CG1 3.49Å; S511-I515 PolarHBondContact O-N 3.11Å; S511-D551 WeakPolarHBondContact CA-OD1 3.47Å
512A93.5Very high95.6Very high6 Ų645 Ų455%0.0524%0.236CC..Hα-helixtrans-57.8-44.3177.800000111.6E514 I515 Q516 D551 N553 L555A512-E514 VanDerWaalsContact C-N 3.34Å; A512-E514 PolarHBondContact O-N 3.4Å; A512-I515 PolarHBondContact O-N 3.25Å; A512-Q516 PolarHBondContact O-N 3.2Å; A512-D551 PolarHBondContact N-OD1 3.2Å; A512-D551 PolarHBondContact N-OD2 3Å; A512-N553 HydrophobicContact CB-CB 3.61Å; A512-L555 HydrophobicContact CB-CD1 4.16Å; A512-L555 HydrophobicContact CB-CD2 4.13Å; A512-L555 HydrophobicContact CB-CG 3.94Å; A512-L555 WeakPolarHBondContact O-CD1 3.23Å
513G88.5Confident95.6Very high45 Ų4544.6 Ų44.646%0.46424%0.236SC..Hα-helixtrans-61.6-40.2176.200000113.1S511 Q516 A517S511-G513 VanDerWaalsContact C-N 3.3Å; S511-G513 PolarHBondContact O-N 2.96Å; G513-Q516 PolarHBondContact O-N 2.83Å; G513-A517 WeakPolarHBondContact O-CB 3.42Å; G513-A517 PolarHBondContact O-N 2.74Å
514E95.8Very high95.5Very high86 Ų8646 Ų4640%0.40224%0.239SC..Hα-helixtrans-68.9-39.9177.2-72.9166.8132.500112.5L510 S511 A512 A517 Q518L510-E514 HydrophobicContact CB-CB 3.94Å; L510-E514 HydrophobicContact CD2-CB 4.21Å; L510-E514 HydrophobicContact CG-CB 4.44Å; S511-E514 WeakPolarHBondContact CB-OE2 3.44Å; S511-E514 PolarHBondContact N-OE2 2.97Å; S511-E514 PolarHBondContact O-N 3.29Å; S511-E514 VanDerWaalsContact O-N 3.16Å; S511-E514 WeakPolarHBondContact OG-CB 3.39Å; S511-E514 VanDerWaalsContact OG-CD 3.28Å; S511-E514 WeakPolarHBondContact OG-CG 3.39Å; S511-E514 PolarHBondContact OG-N 3.01Å; S511-E514 PolarHBondContact OG-OE2 2.83Å; A512-E514 VanDerWaalsContact C-N 3.34Å; A512-E514 PolarHBondContact O-N 3.4Å; E514-A517 PolarHBondContact O-N 2.94Å; E514-Q518 WeakPolarHBondContact O-CB 3.38Å; E514-Q518 VanDerWaalsContact O-CG 3.22Å; E514-Q518 WeakPolarHBondContact O-CG 3.48Å; E514-Q518 PolarHBondContact O-N 2.87Å
515I97.4Very high95.4Very high2 Ų252 Ų521%0.0126%0.261CS..Hα-helixtrans-56.6-55.4173.1-67.4170.6000109I470 L510 S511 A512 A517 Q518 L519 L555 L560I470-I515 HydrophobicContact CD1-CG1 4.46Å; I470-I515 HydrophobicContact CD1-CG2 4.14Å; I470-I515 HydrophobicContact CG2-CG1 4.23Å; L510-I515 HydrophobicContact CB-CG1 3.67Å; L510-I515 HydrophobicContact CD1-CG1 4.35Å; S511-I515 WeakPolarHBondContact O-CG1 3.49Å; S511-I515 PolarHBondContact O-N 3.11Å; A512-I515 PolarHBondContact O-N 3.25Å; I515-A517 VanDerWaalsContact C-N 3.34Å; I515-A517 PolarHBondContact O-N 3.45Å; I515-Q518 PolarHBondContact O-N 2.88Å; I515-L519 HydrophobicContact CG2-CD1 3.4Å; I515-L519 VanDerWaalsContact O-CD1 3.23Å; I515-L519 WeakPolarHBondContact O-CD1 3.46Å; I515-L519 PolarHBondContact O-N 3.3Å; I515-L555 HydrophobicContact CB-CD1 3.73Å; I515-L555 HydrophobicContact CD1-CD1 4.34Å; I515-L555 HydrophobicContact CG2-CD1 3.62Å; I515-L560 HydrophobicContact CG2-CD1 4.13Å
516Q97.2Very high95.3Very high82 Ų8249.5 Ų49.538%0.38325%0.253SS..Hα-helixtrans-56.1-48.3-179.6-176.8172.5-3.500111.4A512 G513 Q518 L519 E520 L555A512-Q516 PolarHBondContact O-N 3.2Å; G513-Q516 PolarHBondContact O-N 2.83Å; Q516-Q518 VanDerWaalsContact C-N 3.34Å; Q516-Q518 PolarHBondContact O-N 3.2Å; Q516-L519 PolarHBondContact O-N 2.96Å; Q516-E520 HydrophobicContact CG-CG 4.32Å; Q516-E520 WeakPolarHBondContact O-CB 3.41Å; Q516-E520 WeakPolarHBondContact O-CG 3.43Å; Q516-E520 PolarHBondContact O-N 3.05Å; Q516-L555 HydrophobicContact CB-CD2 4.41Å
517A95.9Very high95.1Very high50 Ų5052.9 Ų52.941%0.41327%0.272SS..Hα-helixtrans-60.6-39.1179.500000113.1G513 E514 I515 H521G513-A517 WeakPolarHBondContact O-CB 3.42Å; G513-A517 PolarHBondContact O-N 2.74Å; E514-A517 PolarHBondContact O-N 2.94Å; I515-A517 VanDerWaalsContact C-N 3.34Å; I515-A517 PolarHBondContact O-N 3.45Å; A517-H521 WeakPolarHBondContact O-CB 3.22Å; A517-H521 PolarHBondContact O-N 3.32Å
518Q98Very high95.2Very high58 Ų5851.2 Ų51.227%0.27126%0.263SS..Hα-helixtrans-68.2-42.5177.9-69.3-64.7-40.600112L507 L510 E514 I515 Q516 H521 L522L507-Q518 HydrophobicContact CD1-CB 4.12Å; L507-Q518 HydrophobicContact CD1-CG 3.58Å; L510-Q518 HydrophobicContact CD1-CG 4.02Å; E514-Q518 WeakPolarHBondContact O-CB 3.38Å; E514-Q518 VanDerWaalsContact O-CG 3.22Å; E514-Q518 WeakPolarHBondContact O-CG 3.48Å; E514-Q518 PolarHBondContact O-N 2.87Å; I515-Q518 PolarHBondContact O-N 2.88Å; Q516-Q518 VanDerWaalsContact C-N 3.34Å; Q516-Q518 PolarHBondContact O-N 3.2Å; Q518-H521 PolarHBondContact O-N 2.61Å; Q518-L522 WeakPolarHBondContact O-CB 3.42Å; Q518-L522 PolarHBondContact O-N 3.09Å
519L98.5Very high95.2Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-67.6-40.4176.5-80123.8000111.5I470 I515 Q516 L522 G523 I536 L560 I563 F564 F579I470-L519 HydrophobicContact CD1-CD1 4.02Å; I515-L519 HydrophobicContact CG2-CD1 3.4Å; I515-L519 VanDerWaalsContact O-CD1 3.23Å; I515-L519 WeakPolarHBondContact O-CD1 3.46Å; I515-L519 PolarHBondContact O-N 3.3Å; Q516-L519 PolarHBondContact O-N 2.96Å; L519-L522 PolarHBondContact O-N 3.11Å; L519-G523 PolarHBondContact O-N 2.9Å; L519-I536 HydrophobicContact CD2-CD1 3.73Å; L519-I536 HydrophobicContact CD2-CG2 4.31Å; L519-L560 HydrophobicContact CD1-CD1 4.3Å; L519-L560 HydrophobicContact CD1-CD2 4.13Å; L519-I563 HydrophobicContact CB-CD1 4.04Å; L519-F564 HydrophobicContact CB-CE2 4.39Å; L519-F564 HydrophobicContact CB-CZ 4.33Å; L519-F564 HydrophobicContact CD2-CE2 3.57Å; L519-F564 HydrophobicContact CD2-CZ 3.9Å; L519-F564 WeakPolarHBondContact O-CZ 3.33Å; L519-F579 HydrophobicContact CD2-CE1 4.43Å
520E97.8Very high95.3Very high64 Ų6459.5 Ų59.530%0.29931%0.305SS..Hα-helixtrans-63.6-41.5174.4-74.8-164.9130.800112.6Q516 L522 G523 K524 I563Q516-E520 HydrophobicContact CG-CG 4.32Å; Q516-E520 WeakPolarHBondContact O-CB 3.41Å; Q516-E520 WeakPolarHBondContact O-CG 3.43Å; Q516-E520 PolarHBondContact O-N 3.05Å; E520-L522 VanDerWaalsContact C-N 3.31Å; E520-L522 PolarHBondContact O-N 3.3Å; E520-G523 PolarHBondContact O-N 3.12Å; E520-K524 HydrophobicContact CB-CD 4.47Å; E520-K524 VanDerWaalsContact O-CB 3.24Å; E520-K524 WeakPolarHBondContact O-CB 3.26Å; E520-K524 PolarHBondContact O-N 3.49Å; E520-K524 IonicContact OE1-NZ 3.95Å; E520-K524 PolarHBondContact OE1-NZ 2.82Å; E520-I563 HydrophobicContact CG-CD1 3.79Å; E520-I563 HydrophobicContact CG-CG1 4.42Å
521H97.7Very high95.6Very high101 Ų10160 Ų6047%0.46831%0.306SS..Hα-helixtrans-61-43.5173.6-178.187.5000111.1A517 Q518 K525 T526A517-H521 WeakPolarHBondContact O-CB 3.22Å; A517-H521 PolarHBondContact O-N 3.32Å; Q518-H521 PolarHBondContact O-N 2.61Å; H521-K525 CarbonylContact O-C 3.55Å; H521-K525 WeakPolarHBondContact O-CA 3.28Å; H521-K525 VanDerWaalsContact O-CB 3.3Å; H521-K525 WeakPolarHBondContact O-CB 3.42Å; H521-K525 PolarHBondContact O-N 3.42Å; H521-T526 PolarHBondContact O-N 3.03Å; H521-T526 PolarHBondContact O-OG1 3.38Å
522L97.8Very high95.9Very high13 Ų1359.5 Ų59.57%0.06830%0.301CS..Hα-helixtrans-65.3-43179.2-168.762.6000112.2I466 L468 Q518 L519 E520 T526 H528 L534 I536 F564I466-L522 HydrophobicContact CB-CD1 4.46Å; I466-L522 HydrophobicContact CD1-CD1 3.67Å; I466-L522 HydrophobicContact CG2-CD1 4.06Å; L468-L522 HydrophobicContact CB-CD2 4.15Å; L468-L522 HydrophobicContact CD2-CD2 3.98Å; Q518-L522 WeakPolarHBondContact O-CB 3.42Å; Q518-L522 PolarHBondContact O-N 3.09Å; L519-L522 PolarHBondContact O-N 3.11Å; E520-L522 VanDerWaalsContact C-N 3.31Å; E520-L522 PolarHBondContact O-N 3.3Å; L522-T526 HydrophobicContact CD1-CG2 4.37Å; L522-T526 VanDerWaalsContact O-CB 3.3Å; L522-T526 WeakPolarHBondContact O-CB 3.39Å; L522-H528 PolarHBondContact O-NE2 3.3Å; L522-L534 HydrophobicContact CD2-CD1 3.71Å; L522-L534 HydrophobicContact CG-CD1 4.36Å; L522-I536 HydrophobicContact CD2-CD1 4.49Å; L522-F564 HydrophobicContact CB-CE1 4.24Å; L522-F564 HydrophobicContact CB-CZ 4.34Å; L522-F564 HydrophobicContact CD2-CE1 4.35Å; L522-F564 HydrophobicContact CD2-CZ 4.41Å; L522-F564 HydrophobicContact CG-CE1 4.16Å
523G97.4Very high96.1Very high4 Ų459.2 Ų59.24%0.04130%0.299CS..Hα-helixtrans-78.5-41-179.500000114.2L519 E520 C569L519-G523 PolarHBondContact O-N 2.9Å; E520-G523 PolarHBondContact O-N 3.12Å; G523-C569 PolarHBondContact O-SG 3.12Å
524K94.5Very high96.6Very high113 Ų11357.1 Ų57.149%0.49128%0.277SS..Hα-helixtrans-100.1-21.4-169.4-57.7175.4179.7170.40114.2E520E520-K524 HydrophobicContact CB-CD 4.47Å; E520-K524 VanDerWaalsContact O-CB 3.24Å; E520-K524 WeakPolarHBondContact O-CB 3.26Å; E520-K524 PolarHBondContact O-N 3.49Å; E520-K524 IonicContact OE1-NZ 3.95Å; E520-K524 PolarHBondContact OE1-NZ 2.82Å
525K95.5Very high96.8Very high164 Ų16453 Ų5371%0.71326%0.258SS*.THydrogen-bonded Turntrans-117.3-16.9-173.7-56.2-62.5-177.5-175.90114.1H521H521-K525 CarbonylContact O-C 3.55Å; H521-K525 WeakPolarHBondContact O-CA 3.28Å; H521-K525 VanDerWaalsContact O-CB 3.3Å; H521-K525 WeakPolarHBondContact O-CB 3.42Å; H521-K525 PolarHBondContact O-N 3.42Å
526T95.8Very high96.8Very high33 Ų3352.9 Ų52.920%0.20226%0.257CS..SBendtrans-94.6135.2178.2-52.20000110.2I466 H521 L522 H528I466-T526 HydrophobicContact CD1-CG2 3.83Å; H521-T526 PolarHBondContact O-N 3.03Å; H521-T526 PolarHBondContact O-OG1 3.38Å; L522-T526 HydrophobicContact CD1-CG2 4.37Å; L522-T526 VanDerWaalsContact O-CB 3.3Å; L522-T526 WeakPolarHBondContact O-CB 3.39Å; T526-H528 PolarHBondContact O-CD2 2.88Å; T526-H528 VanDerWaalsContact O-CD2 3.28Å
527N94.7Very high96.9Very high105 Ų10549 Ų4956%0.56124%0.239SC*.  trans-87.3122.4172.7-176.85.9000110.1H529N527-H529 PolarHBondContact OD1-N 2.93Å; N527-H529 PolarHBondContact OD1-ND1 3Å
528H96.8Very high97Very high0 Ų046.7 Ų46.70%022%0.22CC..  trans-106.211.4-179.3-57.3-89.1000114.6L522 T526 E530 Y531 S571 L572 K575L522-H528 PolarHBondContact O-NE2 3.3Å; T526-H528 PolarHBondContact O-CD2 2.88Å; T526-H528 VanDerWaalsContact O-CD2 3.28Å; H528-E530 PolarHBondContact O-N 3.29Å; H528-Y531 HydrophobicContact CB-CD2 4.15Å; H528-Y531 AromaticContact ND1-CD2 3.78Å; H528-Y531 PolarHBondContact O-N 2.66Å; H528-Y531 VanDerWaalsContact O-N 3.11Å; H528-S571 PolarHBondContact CD2-OG 3.43Å; H528-S571 PolarHBondContact N-OG 3Å; H528-L572 HydrophobicContact CB-CD2 3.51Å; H528-L572 HydrophobicContact CB-CG 3.69Å; H528-K575 PolarHBondContact O-NZ 3.22Å
529H94.5Very high97Very high129 Ų12944 Ų4460%0.59721%0.207SC*.THydrogen-bonded Turntrans-57.3-36.3-176.4-79.989.7000113.2N527 Y531 S571 K575N527-H529 PolarHBondContact OD1-N 2.93Å; N527-H529 PolarHBondContact OD1-ND1 3Å; H529-Y531 VanDerWaalsContact C-N 3.34Å; H529-S571 WeakPolarHBondContact ND1-CB 3.41Å; H529-K575 PolarHBondContact O-NZ 3.31Å
530E94Very high96.9Very high157 Ų15744.1 Ų44.173%0.73421%0.208SC*.THydrogen-bonded Turntrans-82.7-5.9-178.7-60.5-176.8164.400114.5H528H528-E530 PolarHBondContact O-N 3.29Å
531Y96.6Very high96.8Very high30 Ų3042.8 Ų42.812%0.11820%0.202CC..  trans-101.7149-178-59.7-44.5000111.4R463 I466 H528 H529 K575R463-Y531 HydrophobicContact CB-CD1 4.06Å; R463-Y531 HydrophobicContact CB-CE1 4Å; I466-Y531 HydrophobicContact CD1-CD2 4.49Å; I466-Y531 HydrophobicContact CD1-CE2 3.86Å; I466-Y531 HydrophobicContact CG1-CD2 4.35Å; I466-Y531 HydrophobicContact CG1-CE2 3.92Å; H528-Y531 HydrophobicContact CB-CD2 4.15Å; H528-Y531 AromaticContact ND1-CD2 3.78Å; H528-Y531 PolarHBondContact O-N 2.66Å; H528-Y531 VanDerWaalsContact O-N 3.11Å; H529-Y531 VanDerWaalsContact C-N 3.34Å; Y531-K575 VanDerWaalsContact O-CD 3.29Å; Y531-K575 WeakPolarHBondContact O-CD 3.45Å; Y531-K575 VanDerWaalsContact O-CE 3.28Å; Y531-K575 WeakPolarHBondContact O-CE 3.21Å; Y531-K575 PolarHBondContact O-NZ 3.14Å
532D96.6Very high96.7Very high8 Ų838.4 Ų38.44%0.04318%0.184CC..SBendtrans-79.9-36.8177.1-63-36000112.1K458 M459 N460 S461 K464 K575 P576K458-D532 WeakPolarHBondContact O-CB 3.36Å; M459-D532 WeakPolarHBondContact CA-OD2 3.37Å; M459-D532 HydrophobicContact CE-CB 4.3Å; M459-D532 HydrophobicContact SD-CB 3.75Å; N460-D532 PolarHBondContact N-OD2 3.31Å; S461-D532 VanDerWaalsContact CB-CG 3.47Å; S461-D532 WeakPolarHBondContact CB-OD1 3.45Å; S461-D532 VanDerWaalsContact CB-OD2 3.25Å; S461-D532 WeakPolarHBondContact CB-OD2 3.33Å; S461-D532 PolarHBondContact N-OD2 3.05Å; S461-D532 PolarHBondContact OG-OD1 3.31Å; K464-D532 WeakPolarHBondContact O-CA 3.46Å; K464-D532 WeakPolarHBondContact O-CB 3.42Å; K464-D532 PolarHBondContact O-N 3.09Å; D532-K575 WeakPolarHBondContact O-CB 3.37Å; D532-P576 WeakPolarHBondContact O-CD 3.26Å
533C98Very high96.5Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-153.5177.6-177.371.50000113.5M459 K464 G465 F502 P576M459-C533 HydrophobicContact SD-CB 4.28Å; K464-C533 PolarHBondContact O-N 3.34Å; G465-C533 WeakPolarHBondContact CA-O 3.14Å; F502-C533 VanDerWaalsContact CE1-SG 3.51Å; F502-C533 VanDerWaalsContact CZ-SG 3.51Å; C533-P576 WeakPolarHBondContact CA-O 3.45Å; C533-P576 HydrophobicContact CB-CB 3.9Å; C533-P576 HydrophobicContact CB-CG 4.12Å; C533-P576 VanDerWaalsContact CB-O 3.27Å; C533-P576 WeakPolarHBondContact CB-O 3.45Å
534L98.7Very high96.3Very high0 Ų044.3 Ų44.30%022%0.216CC..EExtended strand (participates in β ladder)trans-123.8134.2172.317265.4000109.9I466 L522 I536 F564 L572 P576 L578I466-L534 HydrophobicContact CB-CD1 4.34Å; L522-L534 HydrophobicContact CD2-CD1 3.71Å; L522-L534 HydrophobicContact CG-CD1 4.36Å; L534-I536 HydrophobicContact CD1-CD1 4.48Å; L534-I536 HydrophobicContact CD1-CG1 4.2Å; L534-I536 HydrophobicContact CD2-CD1 3.83Å; L534-I536 HydrophobicContact CD2-CG1 4.36Å; L534-I536 HydrophobicContact CG-CD1 4.21Å; L534-I536 HydrophobicContact CG-CG1 4.19Å; L534-F564 HydrophobicContact CD2-CD1 3.31Å; L534-F564 HydrophobicContact CD2-CE1 3.42Å; L534-F564 VanDerWaalsContact CD2-CE1 3.42Å; L534-F564 HydrophobicContact CD2-CG 3.95Å; L534-F564 HydrophobicContact CD2-CZ 4.15Å; L534-L572 HydrophobicContact CB-CD1 3.96Å; L534-L572 HydrophobicContact CB-CD2 4.14Å; L534-L572 HydrophobicContact CD2-CD1 3.6Å; L534-L572 HydrophobicContact CG-CD1 4.38Å; L534-P576 PolarHBondContact N-O 2.87Å; L534-L578 PolarHBondContact O-N 2.9Å
535V98.8Very high96.2Very high0 Ų040.1 Ų40.10%021%0.205CC..EExtended strand (participates in β ladder)trans-119131.2172.2177.50000110.1I466 C467 L468 F497 F502 L578 F580I466-V535 PolarHBondContact O-N 3.12Å; C467-V535 CarbonylContact C-O 3.48Å; C467-V535 VanDerWaalsContact CA-O 3.32Å; C467-V535 WeakPolarHBondContact CA-O 3.34Å; C467-V535 HydrophobicContact CB-CB 4.17Å; C467-V535 HydrophobicContact CB-CG1 4.44Å; L468-V535 PolarHBondContact N-O 3.14Å; F497-V535 HydrophobicContact CD1-CG1 4.4Å; F497-V535 HydrophobicContact CD1-CG2 4.45Å; F497-V535 HydrophobicContact CE1-CB 4.47Å; F497-V535 HydrophobicContact CE1-CG1 3.87Å; F497-V535 HydrophobicContact CE1-CG2 4.02Å; F497-V535 HydrophobicContact CE2-CG1 4.15Å; F497-V535 HydrophobicContact CZ-CG1 3.73Å; F502-V535 HydrophobicContact CD1-CG2 4.3Å; F502-V535 HydrophobicContact CE1-CB 4.34Å; F502-V535 HydrophobicContact CE1-CG2 3.57Å; F502-V535 HydrophobicContact CZ-CG2 3.87Å; V535-L578 CarbonylContact C-O 3.57Å; V535-L578 WeakPolarHBondContact CA-O 3.44Å; V535-L578 HydrophobicContact CG2-CB 4.29Å; V535-L578 HydrophobicContact CG2-CD1 4.2Å; V535-F580 HydrophobicContact CG1-CD2 3.96Å; V535-F580 HydrophobicContact CG1-CE2 3.94Å
536I98.9Very high96.3Very high0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-128.1118.8173.8-64.1165.9000109.2L468 L519 L522 L534 L538 F564 L578 F579 F580L468-I536 HydrophobicContact CB-CG1 4.37Å; L468-I536 CarbonylContact O-C 3.51Å; L468-I536 WeakPolarHBondContact O-CA 3.36Å; L519-I536 HydrophobicContact CD2-CD1 3.73Å; L519-I536 HydrophobicContact CD2-CG2 4.31Å; L522-I536 HydrophobicContact CD2-CD1 4.49Å; L534-I536 HydrophobicContact CD1-CD1 4.48Å; L534-I536 HydrophobicContact CD1-CG1 4.2Å; L534-I536 HydrophobicContact CD2-CD1 3.83Å; L534-I536 HydrophobicContact CD2-CG1 4.36Å; L534-I536 HydrophobicContact CG-CD1 4.21Å; L534-I536 HydrophobicContact CG-CG1 4.19Å; I536-L538 HydrophobicContact CG2-CD2 3.74Å; I536-L538 HydrophobicContact CG2-CG 3.88Å; I536-F564 HydrophobicContact CD1-CD2 4.3Å; I536-F564 HydrophobicContact CD1-CE1 4.28Å; I536-F564 HydrophobicContact CD1-CE2 3.66Å; I536-F564 HydrophobicContact CD1-CZ 3.63Å; I536-L578 PolarHBondContact N-O 2.87Å; I536-F579 HydrophobicContact CB-CD1 3.83Å; I536-F579 HydrophobicContact CB-CE1 3.9Å; I536-F579 HydrophobicContact CB-CG 4.45Å; I536-F579 HydrophobicContact CD1-CD1 4.25Å; I536-F579 HydrophobicContact CD1-CE1 3.43Å; I536-F579 VanDerWaalsContact CD1-CE1 3.43Å; I536-F579 HydrophobicContact CD1-CE2 4.4Å; I536-F579 HydrophobicContact CD1-CZ 3.52Å; I536-F579 HydrophobicContact CG1-CE1 4.24Å; I536-F579 HydrophobicContact CG2-CD1 4Å; I536-F579 HydrophobicContact CG2-CE1 4.06Å; I536-F579 CarbonylContact O-C 3.33Å; I536-F579 VanDerWaalsContact O-CA 3.29Å; I536-F579 WeakPolarHBondContact O-CA 3.39Å; I536-F580 PolarHBondContact O-N 3.16Å
537C98.8Very high96.4Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-104115.8173.6-59.80000109.4L468 I469 I470 L493 F580L468-C537 PolarHBondContact O-N 3.27Å; I469-C537 HydrophobicContact CB-CB 4.43Å; I469-C537 HydrophobicContact CG1-CB 4.11Å; I469-C537 HydrophobicContact CG2-CB 4.34Å; I470-C537 PolarHBondContact N-O 3.49Å; L493-C537 HydrophobicContact CD1-CB 4.11Å; C537-F580 CarbonylContact C-O 3.54Å; C537-F580 WeakPolarHBondContact CA-O 3.29Å
538L98.4Very high96.5Very high1 Ų132.3 Ų32.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-109.1113.3178-60.4-179.2000109.8I470 I536 I547 L560 F580 I581 Q582I470-L538 HydrophobicContact CB-CD2 4.07Å; I470-L538 HydrophobicContact CD1-CD2 3.82Å; I470-L538 HydrophobicContact CG1-CD2 4.23Å; I536-L538 HydrophobicContact CG2-CD2 3.74Å; I536-L538 HydrophobicContact CG2-CG 3.88Å; L538-I547 HydrophobicContact CB-CD1 3.53Å; L538-I547 HydrophobicContact CD1-CD1 4.13Å; L538-I547 HydrophobicContact CG-CD1 4.34Å; L538-L560 HydrophobicContact CD1-CD1 4.39Å; L538-F580 PolarHBondContact N-O 3.26Å; L538-I581 HydrophobicContact CB-CG1 4.48Å; L538-I581 WeakPolarHBondContact O-CA 3.2Å; L538-Q582 PolarHBondContact O-N 3.03Å
539M98Very high96.3Very high1 Ų132.3 Ų32.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-120.5105.4-179.3-52.1-168.8-70.300110.3I469 I470 N471 N472 R483 D489 E490 L493 Q582 I691I469-M539 HydrophobicContact CG2-CE 3.8Å; I470-M539 PolarHBondContact O-N 3.41Å; N471-M539 HydrophobicContact CB-CE 3.59Å; N471-M539 VanDerWaalsContact CG-CE 3.46Å; N472-M539 PolarHBondContact N-O 3.31Å; R483-M539 PolarHBondContact NH1-O 3.45Å; D489-M539 HydrophobicContact CB-CE 4.48Å; D489-M539 HydrophobicContact CB-SD 3.88Å; E490-M539 HydrophobicContact CB-CE 4.29Å; L493-M539 HydrophobicContact CD1-CE 3.96Å; L493-M539 HydrophobicContact CD1-SD 3.58Å; L493-M539 VanDerWaalsContact CD1-SD 3.58Å; M539-Q582 WeakPolarHBondContact CA-O 3.37Å; M539-Q582 HydrophobicContact CB-CB 4.38Å; M539-Q582 HydrophobicContact CG-CB 4.08Å; M539-I691 HydrophobicContact SD-CG1 4.26Å
540S96.4Very high96.1Very high3 Ų326.2 Ų26.22%0.02113%0.131CC..SBendtrans-157.3-173.2-175.1-162.70000111.8N472 F475 R483 Y548 Q582 A583N472-S540 WeakPolarHBondContact CB-OG 3.29Å; F475-S540 VanDerWaalsContact CZ-OG 3.26Å; F475-S540 WeakPolarHBondContact CZ-OG 3.36Å; R483-S540 PolarHBondContact NE-O 3.46Å; S540-Y548 PolarHBondContact OG-O 3.06Å; S540-Q582 PolarHBondContact N-O 2.83Å; S540-Q582 VanDerWaalsContact N-O 3.08Å; S540-A583 WeakPolarHBondContact O-CA 3.42Å
541H95Very high95.6Very high36 Ų3620.6 Ų20.617%0.16711%0.106CC..  trans-73.4157.7156.2-71.1-63.1000110.3F475 F480 Q481 Y548F475-H541 AromaticContact CD1-CD2 3.98Å; F475-H541 AromaticContact CD2-CD2 3.65Å; F475-H541 AromaticContact CD2-NE2 3.97Å; F475-H541 HydrophobicContact CE1-CB 4.34Å; F475-H541 AromaticContact CE1-CD2 3.72Å; F475-H541 AromaticContact CE2-CD2 3.39Å; F475-H541 WeakPolarHBondContact CE2-CD2 3.01Å; F475-H541 AromaticContact CE2-NE2 3.89Å; F475-H541 AromaticContact CG-CD2 3.97Å; F475-H541 HydrophobicContact CZ-CB 4.29Å; F475-H541 AromaticContact CZ-CD2 3.42Å; F475-H541 VanDerWaalsContact CZ-CD2 3.42Å; F475-H541 WeakPolarHBondContact CZ-CD2 3.34Å; F480-H541 HydrophobicContact CD1-CB 3.75Å; F480-H541 AromaticContact CD1-CD2 3.56Å; F480-H541 AromaticContact CD1-CG 3.64Å; F480-H541 HydrophobicContact CE1-CB 4.02Å; F480-H541 AromaticContact CG-CD2 3.89Å; Q481-H541 PolarHBondContact O-NE2 3.37Å; H541-Y548 HydrophobicContact CB-CD2 4.1Å; H541-Y548 PolarHBondContact O-N 3Å
542G95.2Very high95.1Very high9 Ų919.8 Ų19.89%0.09311%0.107CC..EExtended strand (participates in β ladder)trans-164.3168.7-179.700000112.6R546 C584G542-R546 VanDerWaalsContact CA-O 3.29Å; G542-R546 WeakPolarHBondContact CA-O 3.49Å; G542-C584 CarbonylContact C-O 3.6Å; G542-C584 WeakPolarHBondContact CA-O 3.32Å; G542-C584 CarbonylContact O-C 3.46Å
543T93.5Very high94.8Very high50 Ų5024.1 Ų24.131%0.30713%0.13SC..EExtended strand (participates in β ladder)trans-133.5-174.317151.90000108.3G545 R546 Y548 C584T543-G545 PolarHBondContact O-N 2.77Å; T543-R546 PolarHBondContact N-O 2.97Å; T543-R546 VanDerWaalsContact N-O 3.11Å; T543-R546 PolarHBondContact O-N 3.45Å; T543-Y548 HydrophobicContact CG2-CE2 4.04Å; T543-C584 PolarHBondContact N-O 3.26Å
544I93Very high94.6Very high92 Ų9225.9 Ų25.947%0.47214%0.143SC..THydrogen-bonded Turntrans-57.6115.4179.7-60.2173.4000109.6R546 R585I544-R546 PolarHBondContact O-N 3.03Å; I544-R585 WeakPolarHBondContact CG1-O 3.34Å
545G93.8Very high94.5Very high25 Ų2526.6 Ų26.626%0.25815%0.146SC..THydrogen-bonded Turntrans73.84.1175.500000115.3T543 I557T543-G545 PolarHBondContact O-N 2.77Å; G545-I557 PolarHBondContact O-N 2.88Å
546R97.5Very high94.5Very high93 Ų9327.6 Ų27.635%0.35115%0.154SC..EExtended strand (participates in β ladder)trans-132.7151.4-174.9-52.7-17474.782.22.2113.1G542 T543 I544 S554 L555G542-R546 VanDerWaalsContact CA-O 3.29Å; G542-R546 WeakPolarHBondContact CA-O 3.49Å; T543-R546 PolarHBondContact N-O 2.97Å; T543-R546 VanDerWaalsContact N-O 3.11Å; T543-R546 PolarHBondContact O-N 3.45Å; I544-R546 PolarHBondContact O-N 3.03Å; R546-S554 PolarHBondContact NE-OG 3.04Å; R546-S554 PolarHBondContact NH2-O 2.94Å; R546-S554 PolarHBondContact NH2-OG 3.43Å; R546-L555 CarbonylContact C-O 3.58Å; R546-L555 WeakPolarHBondContact CA-O 3.35Å; R546-L555 WeakPolarHBondContact CB-O 3.4Å
547I97.6Very high94.5Very high4 Ų427.9 Ų27.92%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-127.7144.5175.5-165.4169.6000110.9L538 S554 L555 I557 L560L538-I547 HydrophobicContact CB-CD1 3.53Å; L538-I547 HydrophobicContact CD1-CD1 4.13Å; L538-I547 HydrophobicContact CG-CD1 4.34Å; I547-S554 CarbonylContact O-C 3.55Å; I547-S554 VanDerWaalsContact O-CA 3.29Å; I547-S554 WeakPolarHBondContact O-CA 3.11Å; I547-L555 HydrophobicContact CG2-CB 4.24Å; I547-L555 PolarHBondContact N-O 3.45Å; I547-L555 PolarHBondContact O-N 2.94Å; I547-I557 HydrophobicContact CB-CG1 4.46Å; I547-L560 HydrophobicContact CG2-CD1 3.95Å
548Y96.1Very high94.4Very high41 Ų4133.2 Ų33.216%0.16118%0.18CC..EExtended strand (participates in β ladder)trans-94.9141.1-178.8-72.3-88000113.2N472 F480 S540 H541 T543 G552 N553N472-Y548 PolarHBondContact ND2-O 2.92Å; F480-Y548 HydrophobicContact CE1-CD1 4.18Å; F480-Y548 AromaticContact CE1-CD2 3.96Å; F480-Y548 HydrophobicContact CE1-CD2 3.96Å; F480-Y548 HydrophobicContact CE1-CE1 4.21Å; F480-Y548 HydrophobicContact CE1-CE2 4.01Å; F480-Y548 HydrophobicContact CE1-CG 4.04Å; F480-Y548 AromaticContact CE2-CD1 3.75Å; F480-Y548 HydrophobicContact CE2-CD1 3.75Å; F480-Y548 AromaticContact CE2-CE1 3.91Å; F480-Y548 HydrophobicContact CE2-CE1 3.91Å; F480-Y548 HydrophobicContact CE2-CG 4.27Å; F480-Y548 AromaticContact CZ-CD1 3.4Å; F480-Y548 HydrophobicContact CZ-CD1 3.4Å; F480-Y548 VanDerWaalsContact CZ-CD1 3.4Å; F480-Y548 AromaticContact CZ-CD2 3.98Å; F480-Y548 HydrophobicContact CZ-CD2 3.98Å; F480-Y548 AromaticContact CZ-CE1 3.3Å; F480-Y548 HydrophobicContact CZ-CE1 3.3Å; F480-Y548 AromaticContact CZ-CE2 3.91Å; F480-Y548 HydrophobicContact CZ-CE2 3.91Å; F480-Y548 AromaticContact CZ-CG 3.73Å; F480-Y548 HydrophobicContact CZ-CG 3.73Å; F480-Y548 AromaticContact CZ-CZ 3.58Å; S540-Y548 PolarHBondContact OG-O 3.06Å; H541-Y548 HydrophobicContact CB-CD2 4.1Å; H541-Y548 PolarHBondContact O-N 3Å; T543-Y548 HydrophobicContact CG2-CE2 4.04Å; Y548-G552 WeakPolarHBondContact CD1-O 3.28Å; Y548-G552 WeakPolarHBondContact CE1-O 3.24Å; Y548-N553 WeakPolarHBondContact CA-O 3.26Å
549G94.1Very high94.3Very high0 Ų038.6 Ų38.60%021%0.205CC..  trans-77.4167.2157.900000111.6F475 L510 D551 G552 N553F475-G549 WeakPolarHBondContact CD1-O 3.46Å; F475-G549 WeakPolarHBondContact CE1-O 3.18Å; L510-G549 WeakPolarHBondContact O-CA 3.49Å; G549-D551 VanDerWaalsContact C-OD1 3.31Å; G549-D551 WeakPolarHBondContact CA-OD1 3.29Å; G549-D551 PolarHBondContact O-N 3.45Å; G549-G552 PolarHBondContact O-N 3.31Å; G549-G552 VanDerWaalsContact O-N 3.11Å; G549-N553 PolarHBondContact N-O 3.15Å
550V88.5Confident94.3Very high0 Ų038.7 Ų38.70%021%0.206CC..THydrogen-bonded Turntrans-67.2-17.8176.9-60.80000113.9N472 M474 W476 N509 L510 G552N472-V550 HydrophobicContact CB-CG1 4.01Å; M474-V550 WeakPolarHBondContact O-CB 3.5Å; M474-V550 WeakPolarHBondContact O-CG1 3.46Å; W476-V550 HydrophobicContact CD2-CB 4.47Å; W476-V550 HydrophobicContact CD2-CG2 3.92Å; W476-V550 VanDerWaalsContact CE2-CG2 3.42Å; W476-V550 HydrophobicContact CE3-CG2 4.29Å; W476-V550 HydrophobicContact CH2-CG2 3.79Å; W476-V550 HydrophobicContact CZ2-CG2 3.36Å; W476-V550 HydrophobicContact CZ3-CG2 4.23Å; W476-V550 PolarHBondContact N-O 3.33Å; N509-V550 VanDerWaalsContact C-CG1 3.49Å; N509-V550 VanDerWaalsContact CA-CG1 3.44Å; N509-V550 HydrophobicContact CB-CG1 3.86Å; N509-V550 WeakPolarHBondContact O-CG2 3.38Å; L510-V550 PolarHBondContact O-N 3.38Å; V550-G552 PolarHBondContact O-N 2.75Å
551D84.3Confident94.4Very high39 Ų3939 Ų3921%0.20921%0.207CC..THydrogen-bonded Turntrans-76.6-3.4173.459.9-25.5000113.3W476 S511 A512 G549 N553W476-D551 HydrophobicContact CE3-CB 4.36Å; W476-D551 HydrophobicContact CZ3-CB 4.4Å; S511-D551 WeakPolarHBondContact CA-OD1 3.47Å; A512-D551 PolarHBondContact N-OD1 3.2Å; A512-D551 PolarHBondContact N-OD2 3Å; G549-D551 VanDerWaalsContact C-OD1 3.31Å; G549-D551 WeakPolarHBondContact CA-OD1 3.29Å; G549-D551 PolarHBondContact O-N 3.45Å; D551-N553 PolarHBondContact O-N 3.4Å; D551-N553 PolarHBondContact OD2-ND2 3.07Å
552G85.9Confident94.5Very high14 Ų1438.6 Ų38.614%0.14421%0.209CC..SBendtrans81.9-3.5-179.700000114.4Y548 G549 V550Y548-G552 WeakPolarHBondContact CD1-O 3.28Å; Y548-G552 WeakPolarHBondContact CE1-O 3.24Å; G549-G552 PolarHBondContact O-N 3.31Å; G549-G552 VanDerWaalsContact O-N 3.11Å; V550-G552 PolarHBondContact O-N 2.75Å
553N90.2Very high94.6Very high98 Ų9838.8 Ų38.852%0.52421%0.207SC..  trans-77.4146.9172.3-68.1-44.9000110.6A512 Y548 G549 D551A512-N553 HydrophobicContact CB-CB 3.61Å; Y548-N553 WeakPolarHBondContact CA-O 3.26Å; G549-N553 PolarHBondContact N-O 3.15Å; D551-N553 PolarHBondContact O-N 3.4Å; D551-N553 PolarHBondContact OD2-ND2 3.07Å
554S94.3Very high94.9Very high38 Ų3836.4 Ų36.427%0.26619%0.192SC..EExtended strand (participates in β ladder)trans-113142.7-17965.50000113R546 I547R546-S554 PolarHBondContact NE-OG 3.04Å; R546-S554 PolarHBondContact NH2-O 2.94Å; R546-S554 PolarHBondContact NH2-OG 3.43Å; I547-S554 CarbonylContact O-C 3.55Å; I547-S554 VanDerWaalsContact O-CA 3.29Å; I547-S554 WeakPolarHBondContact O-CA 3.11Å
555L97.1Very high95.1Very high14 Ų1432 Ų327%0.07317%0.17CC..EExtended strand (participates in β ladder)trans-112.2145.7177-61.8164.2000110.4A512 I515 Q516 R546 I547 L560A512-L555 HydrophobicContact CB-CD1 4.16Å; A512-L555 HydrophobicContact CB-CD2 4.13Å; A512-L555 HydrophobicContact CB-CG 3.94Å; A512-L555 WeakPolarHBondContact O-CD1 3.23Å; I515-L555 HydrophobicContact CB-CD1 3.73Å; I515-L555 HydrophobicContact CD1-CD1 4.34Å; I515-L555 HydrophobicContact CG2-CD1 3.62Å; Q516-L555 HydrophobicContact CB-CD2 4.41Å; R546-L555 CarbonylContact C-O 3.58Å; R546-L555 WeakPolarHBondContact CA-O 3.35Å; R546-L555 WeakPolarHBondContact CB-O 3.4Å; I547-L555 HydrophobicContact CG2-CB 4.24Å; I547-L555 PolarHBondContact N-O 3.45Å; I547-L555 PolarHBondContact O-N 2.94Å; L555-L560 HydrophobicContact CB-CD1 4.13Å; L555-L560 HydrophobicContact CB-CG 4.36Å; L555-L560 HydrophobicContact CD1-CD1 4.16Å; L555-L560 HydrophobicContact CD1-CD2 4.25Å
556S98.1Very high95Very high22 Ų2231.7 Ų31.715%0.15417%0.165CC..EExtended strand (participates in β ladder)trans-72.7128.1170.5174.60000110.3H558 E559 L560S556-H558 PolarHBondContact O-N 3.45Å; S556-H558 PolarHBondContact OG-N 2.98Å; S556-E559 WeakPolarHBondContact CB-OE2 3.31Å; S556-E559 PolarHBondContact O-N 3Å; S556-E559 PolarHBondContact OG-N 3.48Å; S556-L560 WeakPolarHBondContact O-CG 3.33Å; S556-L560 PolarHBondContact O-N 3.12Å; S556-L560 VanDerWaalsContact O-N 3.08Å
557I98Very high94.8Very high5 Ų531.4 Ų31.43%0.02617%0.171CC..Hα-helixtrans-63.1-35.2175.1-64.9171.2000110G545 I547 L560 T561 I581 L670 Y672G545-I557 PolarHBondContact O-N 2.88Å; I547-I557 HydrophobicContact CB-CG1 4.46Å; I557-L560 PolarHBondContact O-N 3.4Å; I557-T561 HydrophobicContact CG2-CG2 4.35Å; I557-T561 WeakPolarHBondContact O-CG2 3.35Å; I557-T561 PolarHBondContact O-N 3.49Å; I557-T561 PolarHBondContact O-OG1 3Å; I557-I581 HydrophobicContact CD1-CD1 4.31Å; I557-I581 HydrophobicContact CD1-CG2 4.26Å; I557-I581 HydrophobicContact CG2-CD1 3.74Å; I557-L670 HydrophobicContact CG2-CD2 4.16Å; I557-Y672 HydrophobicContact CD1-CE1 3.87Å
558H96.8Very high94.6Very high113 Ų11334.9 Ų34.952%0.52319%0.189SC..Hα-helixtrans-61.9-45.8176.1177.1-91.1000111.9S556 L560 T561 S562S556-H558 PolarHBondContact O-N 3.45Å; S556-H558 PolarHBondContact OG-N 2.98Å; H558-L560 VanDerWaalsContact C-N 3.31Å; H558-L560 PolarHBondContact O-N 3.4Å; H558-T561 WeakPolarHBondContact CA-OG1 3.13Å; H558-T561 PolarHBondContact O-N 3.08Å; H558-T561 PolarHBondContact O-OG1 3.48Å; H558-S562 WeakPolarHBondContact O-CB 3.4Å; H558-S562 PolarHBondContact O-N 2.91Å
559E96.8Very high94.7Very high113 Ų11333 Ų3353%0.52818%0.182SC..Hα-helixtrans-62.8-37.7175.8-69.1172.3167.300112S556 S562S556-E559 WeakPolarHBondContact CB-OE2 3.31Å; S556-E559 PolarHBondContact O-N 3Å; S556-E559 PolarHBondContact OG-N 3.48Å; E559-S562 PolarHBondContact O-OG 3.27Å
560L98.1Very high94.7Very high4 Ų436.8 Ų36.82%0.02121%0.206CC..Hα-helixtrans-67.9-39.1175.8-65.8-177.1000112.2I515 L519 L538 I547 L555 S556 I557 H558 I563I515-L560 HydrophobicContact CG2-CD1 4.13Å; L519-L560 HydrophobicContact CD1-CD1 4.3Å; L519-L560 HydrophobicContact CD1-CD2 4.13Å; L538-L560 HydrophobicContact CD1-CD1 4.39Å; I547-L560 HydrophobicContact CG2-CD1 3.95Å; L555-L560 HydrophobicContact CB-CD1 4.13Å; L555-L560 HydrophobicContact CB-CG 4.36Å; L555-L560 HydrophobicContact CD1-CD1 4.16Å; L555-L560 HydrophobicContact CD1-CD2 4.25Å; S556-L560 WeakPolarHBondContact O-CG 3.33Å; S556-L560 PolarHBondContact O-N 3.12Å; S556-L560 VanDerWaalsContact O-N 3.08Å; I557-L560 PolarHBondContact O-N 3.4Å; H558-L560 VanDerWaalsContact C-N 3.31Å; H558-L560 PolarHBondContact O-N 3.4Å; L560-I563 HydrophobicContact CD2-CD1 4.5Å
561T98Very high95.1Very high9 Ų937.5 Ų37.56%0.05521%0.211CC..Hα-helixtrans-74-30.9178.256.30000113.2I557 H558 I563 F564 F579 F668 L670I557-T561 HydrophobicContact CG2-CG2 4.35Å; I557-T561 WeakPolarHBondContact O-CG2 3.35Å; I557-T561 PolarHBondContact O-N 3.49Å; I557-T561 PolarHBondContact O-OG1 3Å; H558-T561 WeakPolarHBondContact CA-OG1 3.13Å; H558-T561 PolarHBondContact O-N 3.08Å; H558-T561 PolarHBondContact O-OG1 3.48Å; T561-I563 PolarHBondContact O-N 2.95Å; T561-F564 PolarHBondContact O-N 3.4Å; T561-F579 HydrophobicContact CG2-CD1 4.03Å; T561-F579 HydrophobicContact CG2-CD2 4.15Å; T561-F579 HydrophobicContact CG2-CE1 3.8Å; T561-F579 HydrophobicContact CG2-CE2 3.94Å; T561-F579 HydrophobicContact CG2-CG 4.2Å; T561-F579 HydrophobicContact CG2-CZ 3.76Å; T561-F668 WeakPolarHBondContact O-CE1 3.12Å; T561-L670 HydrophobicContact CG2-CD2 3.93Å; T561-L670 HydrophobicContact CG2-CG 4.4Å
562S97.7Very high95.7Very high28 Ų2835.6 Ų35.620%0.19620%0.201CC..Hα-helixtrans-65.5-19.8-17972.50000113H558 E559 F564 T565 N568H558-S562 WeakPolarHBondContact O-CB 3.4Å; H558-S562 PolarHBondContact O-N 2.91Å; E559-S562 PolarHBondContact O-OG 3.27Å; S562-F564 PolarHBondContact O-N 3.39Å; S562-T565 PolarHBondContact O-N 3.42Å; S562-T565 PolarHBondContact O-OG1 3.18Å; S562-N568 PolarHBondContact O-ND2 3.21Å
563I98.4Very high96.1Very high12 Ų1237 Ų376%0.06221%0.211CC..THydrogen-bonded Turntrans-57.8-28.1171.6-65.2167.2000112L519 E520 L560 T561 N568L519-I563 HydrophobicContact CB-CD1 4.04Å; E520-I563 HydrophobicContact CG-CD1 3.79Å; E520-I563 HydrophobicContact CG-CG1 4.42Å; L560-I563 HydrophobicContact CD2-CD1 4.5Å; T561-I563 PolarHBondContact O-N 2.95Å; I563-N568 WeakPolarHBondContact O-CB 3.29Å
564F98.4Very high96.4Very high0 Ų033.9 Ų33.90%020%0.203CC..THydrogen-bonded Turntrans-106.311.4-173.3-55.6-83.7000113.7L519 L522 L534 I536 T561 S562 L572 K577 F579 F668L519-F564 HydrophobicContact CB-CE2 4.39Å; L519-F564 HydrophobicContact CB-CZ 4.33Å; L519-F564 HydrophobicContact CD2-CE2 3.57Å; L519-F564 HydrophobicContact CD2-CZ 3.9Å; L519-F564 WeakPolarHBondContact O-CZ 3.33Å; L522-F564 HydrophobicContact CB-CE1 4.24Å; L522-F564 HydrophobicContact CB-CZ 4.34Å; L522-F564 HydrophobicContact CD2-CE1 4.35Å; L522-F564 HydrophobicContact CD2-CZ 4.41Å; L522-F564 HydrophobicContact CG-CE1 4.16Å; L534-F564 HydrophobicContact CD2-CD1 3.31Å; L534-F564 HydrophobicContact CD2-CE1 3.42Å; L534-F564 VanDerWaalsContact CD2-CE1 3.42Å; L534-F564 HydrophobicContact CD2-CG 3.95Å; L534-F564 HydrophobicContact CD2-CZ 4.15Å; I536-F564 HydrophobicContact CD1-CD2 4.3Å; I536-F564 HydrophobicContact CD1-CE1 4.28Å; I536-F564 HydrophobicContact CD1-CE2 3.66Å; I536-F564 HydrophobicContact CD1-CZ 3.63Å; T561-F564 PolarHBondContact O-N 3.4Å; S562-F564 PolarHBondContact O-N 3.39Å; F564-L572 HydrophobicContact CD1-CD1 3.99Å; F564-K577 HydrophobicContact CB-CD 3.9Å; F564-K577 WeakPolarHBondContact O-CD 3.33Å; F564-F579 AromaticContact CD2-CZ 3.75Å; F564-F579 HydrophobicContact CD2-CZ 3.75Å; F564-F579 HydrophobicContact CE2-CZ 4.08Å; F564-F668 HydrophobicContact CB-CE1 4.11Å; F564-F668 HydrophobicContact CB-CZ 4.04Å; F564-F668 WeakPolarHBondContact O-CZ 3.37Å
565T96.7Very high96.5Very high1 Ų134.1 Ų34.11%0.00620%0.199CC..SBendtrans-64.1157.4173.852.30000111.1S562 D567 N568 C569 T664 Y665 F668S562-T565 PolarHBondContact O-N 3.42Å; S562-T565 PolarHBondContact O-OG1 3.18Å; T565-D567 VanDerWaalsContact CB-OD1 3.22Å; T565-D567 WeakPolarHBondContact CB-OD1 3.42Å; T565-D567 PolarHBondContact O-N 2.76Å; T565-D567 VanDerWaalsContact O-N 3.1Å; T565-D567 PolarHBondContact OG1-OD1 3.12Å; T565-N568 PolarHBondContact O-N 3.47Å; T565-N568 PolarHBondContact OG1-ND2 3.4Å; T565-C569 PolarHBondContact O-N 3.29Å; T565-T664 WeakPolarHBondContact CA-O 3.42Å; T565-T664 VanDerWaalsContact CB-O 3.26Å; T565-T664 WeakPolarHBondContact CB-O 3.22Å; T565-T664 HydrophobicContact CG2-CG2 4.07Å; T565-Y665 HydrophobicContact CG2-CD1 3.59Å; T565-Y665 HydrophobicContact CG2-CD2 4.03Å; T565-Y665 HydrophobicContact CG2-CE1 3.42Å; T565-Y665 VanDerWaalsContact CG2-CE1 3.42Å; T565-Y665 HydrophobicContact CG2-CE2 3.87Å; T565-Y665 HydrophobicContact CG2-CG 3.89Å; T565-F668 HydrophobicContact CG2-CE2 4.32Å; T565-F668 HydrophobicContact CG2-CZ 4.23Å
566A92.8Very high96.6Very high18 Ų1833.5 Ų33.515%0.14920%0.196CC..THydrogen-bonded Turntrans-58.6-28.7-172.800000113.8P570 A573 I662 T664A566-P570 VanDerWaalsContact O-CA 3.28Å; A566-P570 WeakPolarHBondContact O-CA 3.32Å; A566-A573 HydrophobicContact CB-CB 4.01Å; A566-I662 HydrophobicContact CB-CD1 4.09Å; A566-I662 HydrophobicContact CB-CG1 4.43Å; A566-T664 PolarHBondContact N-O 2.78Å
567D92Very high96.6Very high87 Ų8732.5 Ų32.547%0.46519%0.189SC..THydrogen-bonded Turntrans-79.6-33.6175.863-26.1000113.5T565 T664T565-D567 VanDerWaalsContact CB-OD1 3.22Å; T565-D567 WeakPolarHBondContact CB-OD1 3.42Å; T565-D567 PolarHBondContact O-N 2.76Å; T565-D567 VanDerWaalsContact O-N 3.1Å; T565-D567 PolarHBondContact OG1-OD1 3.12Å; D567-T664 HydrophobicContact CB-CG2 4.27Å; D567-T664 VanDerWaalsContact CG-CG2 3.45Å; D567-T664 WeakPolarHBondContact OD1-CG2 3.17Å
568N94.9Very high96.7Very high76 Ų7632.3 Ų32.341%0.40619%0.188SC..THydrogen-bonded Turntrans-87.7-27.2-180-70.2-41.5000113.4S562 I563 T565S562-N568 PolarHBondContact O-ND2 3.21Å; I563-N568 WeakPolarHBondContact O-CB 3.29Å; T565-N568 PolarHBondContact O-N 3.47Å; T565-N568 PolarHBondContact OG1-ND2 3.4Å
569C96.7Very high96.8Very high2 Ų227 Ų271%0.01416%0.163CC..  trans-135.773.2175.7-168.20000111.4G523 T565 S571 L572G523-C569 PolarHBondContact O-SG 3.12Å; T565-C569 PolarHBondContact O-N 3.29Å; C569-S571 PolarHBondContact O-N 3.01Å; C569-S571 VanDerWaalsContact O-N 3.11Å; C569-L572 PolarHBondContact O-N 3.09Å
570P94.8Very high96.8Very high79 Ų7921.6 Ų21.651%0.51314%0.138SC..G310 helixtrans-57.4-29.6-175.3-27.535.8000115.1A566 L572 A573A566-P570 VanDerWaalsContact O-CA 3.28Å; A566-P570 WeakPolarHBondContact O-CA 3.32Å; P570-L572 PolarHBondContact O-N 2.77Å; P570-L572 VanDerWaalsContact O-N 3.15Å; P570-A573 WeakPolarHBondContact O-CB 3.31Å; P570-A573 PolarHBondContact O-N 3.46Å
571S96.3Very high96.9Very high15 Ų1521.5 Ų21.511%0.10514%0.137CC..G310 helixtrans-67.5-11.1177.258.70000114.5H528 H529 C569H528-S571 PolarHBondContact CD2-OG 3.43Å; H528-S571 PolarHBondContact N-OG 3Å; H529-S571 WeakPolarHBondContact ND1-CB 3.41Å; C569-S571 PolarHBondContact O-N 3.01Å; C569-S571 VanDerWaalsContact O-N 3.11Å
572L97.4Very high96.8Very high0 Ų021.2 Ų21.20%014%0.135CC..G310 helixtrans-108.98.2173.2-72.1175.3000113.2H528 L534 F564 C569 P570 G574 K575 K577H528-L572 HydrophobicContact CB-CD2 3.51Å; H528-L572 HydrophobicContact CB-CG 3.69Å; L534-L572 HydrophobicContact CB-CD1 3.96Å; L534-L572 HydrophobicContact CB-CD2 4.14Å; L534-L572 HydrophobicContact CD2-CD1 3.6Å; L534-L572 HydrophobicContact CG-CD1 4.38Å; F564-L572 HydrophobicContact CD1-CD1 3.99Å; C569-L572 PolarHBondContact O-N 3.09Å; P570-L572 PolarHBondContact O-N 2.77Å; P570-L572 VanDerWaalsContact O-N 3.15Å; L572-G574 PolarHBondContact O-N 3.3Å; L572-K575 HydrophobicContact CD2-CB 4.35Å; L572-K575 HydrophobicContact CD2-CD 4.35Å; L572-K575 PolarHBondContact O-N 2.93Å; L572-K577 HydrophobicContact CB-CD 4.34Å; L572-K577 HydrophobicContact CD1-CG 4.46Å; L572-K577 PolarHBondContact O-NZ 3.04Å
573A95.4Very high96.8Very high42 Ų4220.1 Ų20.135%0.34713%0.128SC..THydrogen-bonded Turntrans-60.9130.7172.400000110.2A566 P570 K575 I662A566-A573 HydrophobicContact CB-CB 4.01Å; P570-A573 WeakPolarHBondContact O-CB 3.31Å; P570-A573 PolarHBondContact O-N 3.46Å; A573-K575 PolarHBondContact O-N 3.26Å; A573-I662 HydrophobicContact CB-CD1 3.88Å
574G95.2Very high96.5Very high34 Ų3420.8 Ų20.835%0.35113%0.133SC..THydrogen-bonded Turntrans74.92.9-178.200000115.1Y457 L572 I662 D667Y457-G574 WeakPolarHBondContact CE1-O 3.33Å; L572-G574 PolarHBondContact O-N 3.3Å; G574-I662 VanDerWaalsContact N-CD1 3.3Å; G574-D667 WeakPolarHBondContact CA-OD2 3.31Å; G574-D667 PolarHBondContact N-OD2 3.01Å
575K97.3Very high96.3Very high42 Ų4221.3 Ų21.318%0.18314%0.135CC..SBendtrans-110.6143.8-177.4-64.7-176.8-176.9-1770111.6H528 H529 Y531 D532 L572 A573 K577 D667H528-K575 PolarHBondContact O-NZ 3.22Å; H529-K575 PolarHBondContact O-NZ 3.31Å; Y531-K575 VanDerWaalsContact O-CD 3.29Å; Y531-K575 WeakPolarHBondContact O-CD 3.45Å; Y531-K575 VanDerWaalsContact O-CE 3.28Å; Y531-K575 WeakPolarHBondContact O-CE 3.21Å; Y531-K575 PolarHBondContact O-NZ 3.14Å; D532-K575 WeakPolarHBondContact O-CB 3.37Å; L572-K575 HydrophobicContact CD2-CB 4.35Å; L572-K575 HydrophobicContact CD2-CD 4.35Å; L572-K575 PolarHBondContact O-N 2.93Å; A573-K575 PolarHBondContact O-N 3.26Å; K575-K577 PolarHBondContact O-N 3.45Å; K575-K577 PolarHBondContact O-NZ 3.22Å; K575-D667 WeakPolarHBondContact O-CB 3.48Å
576P98.5Very high96Very high1 Ų122 Ų221%0.00614%0.143CC..  trans-61.9135.7179.6-20.731.8000112.9Y457 D532 C533 L534 L578 D667 L748 V752Y457-P576 HydrophobicContact CD1-CG 3.77Å; Y457-P576 HydrophobicContact CD2-CG 3.57Å; Y457-P576 HydrophobicContact CE1-CG 4.09Å; Y457-P576 HydrophobicContact CE2-CG 3.86Å; Y457-P576 HydrophobicContact CG-CG 3.5Å; Y457-P576 VanDerWaalsContact CG-CG 3.5Å; D532-P576 WeakPolarHBondContact O-CD 3.26Å; C533-P576 WeakPolarHBondContact CA-O 3.45Å; C533-P576 HydrophobicContact CB-CB 3.9Å; C533-P576 HydrophobicContact CB-CG 4.12Å; C533-P576 VanDerWaalsContact CB-O 3.27Å; C533-P576 WeakPolarHBondContact CB-O 3.45Å; L534-P576 PolarHBondContact N-O 2.87Å; P576-L578 HydrophobicContact CB-CD2 4.03Å; P576-L578 HydrophobicContact CB-CG 4.28Å; P576-D667 CarbonylContact C-O 3.57Å; P576-D667 WeakPolarHBondContact CA-O 3.29Å; P576-L748 HydrophobicContact CB-CD2 4.25Å; P576-V752 HydrophobicContact CB-CG2 3.77Å; P576-V752 HydrophobicContact CG-CG1 4.34Å; P576-V752 HydrophobicContact CG-CG2 3.59Å
577K98.7Very high95.7Very high1 Ų128.3 Ų28.30%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-122.798.7176.4-66.6162.9-70.5-70.80108.5F564 L572 K575 F579 A666 D667 F668 L669F564-K577 HydrophobicContact CB-CD 3.9Å; F564-K577 WeakPolarHBondContact O-CD 3.33Å; L572-K577 HydrophobicContact CB-CD 4.34Å; L572-K577 HydrophobicContact CD1-CG 4.46Å; L572-K577 PolarHBondContact O-NZ 3.04Å; K575-K577 PolarHBondContact O-N 3.45Å; K575-K577 PolarHBondContact O-NZ 3.22Å; K577-F579 HydrophobicContact CB-CE2 4.37Å; K577-A666 WeakPolarHBondContact CE-O 3.34Å; K577-A666 PolarHBondContact NZ-O 3.36Å; K577-A666 VanDerWaalsContact NZ-O 3.14Å; K577-D667 PolarHBondContact N-O 2.97Å; K577-F668 HydrophobicContact CB-CD1 3.8Å; K577-F668 HydrophobicContact CB-CE1 3.97Å; K577-F668 HydrophobicContact CB-CG 4.21Å; K577-F668 HydrophobicContact CD-CD1 4.39Å; K577-F668 HydrophobicContact CD-CD2 4.32Å; K577-F668 HydrophobicContact CD-CE1 3.88Å; K577-F668 HydrophobicContact CD-CE2 3.83Å; K577-F668 HydrophobicContact CD-CZ 3.59Å; K577-F668 VanDerWaalsContact CE-CZ 3.46Å; K577-F668 WeakPolarHBondContact O-CA 3.38Å; K577-L669 PolarHBondContact O-N 3.32Å
578L98.8Very high95.5Very high1 Ų129.1 Ų29.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-105.9118.1-167.3-48.5178.2000110.5L534 V535 I536 P576 F580 L669 L748 V752 F754L534-L578 PolarHBondContact O-N 2.9Å; V535-L578 CarbonylContact C-O 3.57Å; V535-L578 WeakPolarHBondContact CA-O 3.44Å; V535-L578 HydrophobicContact CG2-CB 4.29Å; V535-L578 HydrophobicContact CG2-CD1 4.2Å; I536-L578 PolarHBondContact N-O 2.87Å; P576-L578 HydrophobicContact CB-CD2 4.03Å; P576-L578 HydrophobicContact CB-CG 4.28Å; L578-F580 HydrophobicContact CB-CE2 4.08Å; L578-F580 HydrophobicContact CB-CZ 4.44Å; L578-L669 CarbonylContact C-O 3.49Å; L578-L669 HydrophobicContact CD2-CB 3.66Å; L578-L669 HydrophobicContact CD2-CG 4.48Å; L578-L748 HydrophobicContact CD2-CD2 4.26Å; L578-V752 HydrophobicContact CD1-CG1 4.38Å; L578-F754 HydrophobicContact CD1-CE1 3.92Å; L578-F754 HydrophobicContact CD1-CZ 3.45Å; L578-F754 VanDerWaalsContact CD1-CZ 3.45Å
579F98.8Very high95Very high1 Ų128.2 Ų28.20%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-110.8122.5178-70.1-103.4000110.1L519 I536 T561 F564 K577 I581 F668 L669 L670 S671L519-F579 HydrophobicContact CD2-CE1 4.43Å; I536-F579 HydrophobicContact CB-CD1 3.83Å; I536-F579 HydrophobicContact CB-CE1 3.9Å; I536-F579 HydrophobicContact CB-CG 4.45Å; I536-F579 HydrophobicContact CD1-CD1 4.25Å; I536-F579 HydrophobicContact CD1-CE1 3.43Å; I536-F579 VanDerWaalsContact CD1-CE1 3.43Å; I536-F579 HydrophobicContact CD1-CE2 4.4Å; I536-F579 HydrophobicContact CD1-CZ 3.52Å; I536-F579 HydrophobicContact CG1-CE1 4.24Å; I536-F579 HydrophobicContact CG2-CD1 4Å; I536-F579 HydrophobicContact CG2-CE1 4.06Å; I536-F579 CarbonylContact O-C 3.33Å; I536-F579 VanDerWaalsContact O-CA 3.29Å; I536-F579 WeakPolarHBondContact O-CA 3.39Å; T561-F579 HydrophobicContact CG2-CD1 4.03Å; T561-F579 HydrophobicContact CG2-CD2 4.15Å; T561-F579 HydrophobicContact CG2-CE1 3.8Å; T561-F579 HydrophobicContact CG2-CE2 3.94Å; T561-F579 HydrophobicContact CG2-CG 4.2Å; T561-F579 HydrophobicContact CG2-CZ 3.76Å; F564-F579 AromaticContact CD2-CZ 3.75Å; F564-F579 HydrophobicContact CD2-CZ 3.75Å; F564-F579 HydrophobicContact CE2-CZ 4.08Å; K577-F579 HydrophobicContact CB-CE2 4.37Å; F579-I581 HydrophobicContact CB-CD1 4.27Å; F579-I581 HydrophobicContact CB-CG1 4.34Å; F579-F668 HydrophobicContact CD2-CD1 4.34Å; F579-F668 AromaticContact CE2-CD1 3.89Å; F579-F668 HydrophobicContact CE2-CD1 3.89Å; F579-F668 AromaticContact CE2-CE1 3.92Å; F579-F668 HydrophobicContact CE2-CE1 3.92Å; F579-L669 PolarHBondContact N-O 3.01Å; F579-L670 HydrophobicContact CB-CG 4.11Å; F579-L670 WeakPolarHBondContact O-CA 3.3Å; F579-S671 PolarHBondContact O-N 3.15Å
580F98.7Very high94.5Very high0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-111.1112.7173-59.6-78.6000109F497 V535 I536 C537 L538 L578 L669 S671 L694 I707 V711F497-F580 HydrophobicContact CE1-CE2 4.5Å; F497-F580 HydrophobicContact CZ-CD2 4.18Å; F497-F580 AromaticContact CZ-CE2 3.8Å; F497-F580 HydrophobicContact CZ-CE2 3.8Å; V535-F580 HydrophobicContact CG1-CD2 3.96Å; V535-F580 HydrophobicContact CG1-CE2 3.94Å; I536-F580 PolarHBondContact O-N 3.16Å; C537-F580 CarbonylContact C-O 3.54Å; C537-F580 WeakPolarHBondContact CA-O 3.29Å; L538-F580 PolarHBondContact N-O 3.26Å; L578-F580 HydrophobicContact CB-CE2 4.08Å; L578-F580 HydrophobicContact CB-CZ 4.44Å; F580-L669 HydrophobicContact CE1-CD2 4.49Å; F580-S671 WeakPolarHBondContact CA-O 3.45Å; F580-L694 HydrophobicContact CB-CD2 4.17Å; F580-L694 HydrophobicContact CD1-CD1 4.23Å; F580-L694 HydrophobicContact CD1-CD2 3.45Å; F580-L694 VanDerWaalsContact CD1-CD2 3.45Å; F580-L694 HydrophobicContact CD1-CG 4.49Å; F580-L694 HydrophobicContact CE1-CD1 3.91Å; F580-L694 HydrophobicContact CE1-CD2 3.93Å; F580-L694 HydrophobicContact CG-CD2 3.81Å; F580-I707 HydrophobicContact CZ-CD1 4.18Å; F580-I707 HydrophobicContact CZ-CG1 4.46Å; F580-V711 HydrophobicContact CE1-CG2 4.43Å
581I98.5Very high93.8Very high2 Ų233.3 Ų33.31%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-116.7102.6-166.3-57.3167.1000109.3L538 I557 F579 A583 S671 Y672 A673L538-I581 HydrophobicContact CB-CG1 4.48Å; L538-I581 WeakPolarHBondContact O-CA 3.2Å; I557-I581 HydrophobicContact CD1-CD1 4.31Å; I557-I581 HydrophobicContact CD1-CG2 4.26Å; I557-I581 HydrophobicContact CG2-CD1 3.74Å; F579-I581 HydrophobicContact CB-CD1 4.27Å; F579-I581 HydrophobicContact CB-CG1 4.34Å; I581-A583 HydrophobicContact CG2-CB 4.36Å; I581-A583 PolarHBondContact O-N 3.28Å; I581-S671 PolarHBondContact N-O 3.46Å; I581-Y672 HydrophobicContact CB-CD1 3.94Å; I581-Y672 HydrophobicContact CB-CE1 4.34Å; I581-Y672 HydrophobicContact CD1-CD1 3.97Å; I581-Y672 HydrophobicContact CD1-CE1 3.51Å; I581-Y672 HydrophobicContact CG2-CD1 4.04Å; I581-Y672 HydrophobicContact CG2-CE1 4.34Å; I581-A673 PolarHBondContact O-N 2.86Å
582Q97.6Very high92.8Very high4 Ų435 Ų352%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-95.689.5172.8174.855.274.600109.8L538 M539 S540 A673 T688 I691L538-Q582 PolarHBondContact O-N 3.03Å; M539-Q582 WeakPolarHBondContact CA-O 3.37Å; M539-Q582 HydrophobicContact CB-CB 4.38Å; M539-Q582 HydrophobicContact CG-CB 4.08Å; S540-Q582 PolarHBondContact N-O 2.83Å; S540-Q582 VanDerWaalsContact N-O 3.08Å; Q582-A673 VanDerWaalsContact OE1-CB 3.28Å; Q582-T688 HydrophobicContact CG-CG2 3.84Å; Q582-T688 VanDerWaalsContact OE1-CB 3.32Å; Q582-T688 PolarHBondContact OE1-OG1 3.29Å; Q582-I691 HydrophobicContact CB-CD1 4.05Å; Q582-I691 HydrophobicContact CB-CG1 3.94Å; Q582-I691 HydrophobicContact CG-CG1 4.06Å
583A96.3Very high91.8Very high4 Ų445 Ų453%0.03324%0.238CC..SBendtrans-150.1154.7173.500000110.2S540 I581S540-A583 WeakPolarHBondContact O-CA 3.42Å; I581-A583 HydrophobicContact CG2-CB 4.36Å; I581-A583 PolarHBondContact O-N 3.28Å
584C93.1Very high90.9Very high27 Ų2748.9 Ų48.918%0.18226%0.257CS..  trans-61.5153165.3-65.70000109.4G542 T543 A680G542-C584 CarbonylContact C-O 3.6Å; G542-C584 WeakPolarHBondContact CA-O 3.32Å; G542-C584 CarbonylContact O-C 3.46Å; T543-C584 PolarHBondContact N-O 3.26Å; C584-A680 PolarHBondContact SG-N 2.84Å
585R94.3Very high89.9Confident10 Ų1054 Ų544%0.03828%0.275CS..  trans-126.829.9174.3-62.3-178.972.9-157-0.6110.7I544 T674 G677 F678 E743I544-R585 WeakPolarHBondContact CG1-O 3.34Å; R585-T674 HydrophobicContact CB-CG2 4.18Å; R585-T674 VanDerWaalsContact CD-O 3.27Å; R585-T674 WeakPolarHBondContact CD-O 3.48Å; R585-T674 HydrophobicContact CG-CG2 4.16Å; R585-T674 PolarHBondContact NH1-O 3.22Å; R585-G677 CarbonylContact O-C 3.56Å; R585-G677 VanDerWaalsContact O-CA 3.25Å; R585-G677 WeakPolarHBondContact O-CA 3.25Å; R585-G677 PolarHBondContact O-N 2.78Å; R585-F678 CarbonylContact C-O 3.55Å; R585-F678 PolarHBondContact N-O 3.06Å; R585-E743 IonicContact CZ-OE2 2.75Å; R585-E743 IonicContact NH1-OE2 2.76Å; R585-E743 PolarHBondContact NH1-OE2 2.85Å
586G89.2Confident88.4Confident17 Ų1760.6 Ų60.618%0.17531%0.306CS..SBendtrans147.2-176.2-176.500000110.8G677 F678G586-G677 CarbonylContact C-O 3.6Å; G586-G677 WeakPolarHBondContact CA-O 3.32Å; G586-F678 PolarHBondContact N-O 3.4Å; G586-F678 CarbonylContact O-C 3.56Å
587E87.4Confident86.9Confident149 Ų14970.1 Ų70.170%0.69635%0.348SS*.SBendtrans-109.1-8.7-170.9-62.4-169179.900113.6G677 R679E587-G677 PolarHBondContact N-O 2.99Å; E587-R679 WeakPolarHBondContact O-CD 3.45Å; E587-R679 PolarHBondContact O-NE 3.11Å
588D87Confident85Confident105 Ų10578.2 Ų78.256%0.56139%0.386SS*.BIsolated β-bridgetrans-76.8153.6-177.5-67.7-33.4000111.9G677 F678 R679D588-G677 WeakPolarHBondContact CB-O 3.47Å; D588-G677 PolarHBondContact N-O 3.32Å; D588-F678 HydrophobicContact CB-CD1 3.78Å; D588-F678 HydrophobicContact CB-CE1 4Å; D588-F678 CarbonylContact O-C 3.56Å; D588-F678 VanDerWaalsContact O-CA 3.27Å; D588-F678 WeakPolarHBondContact O-CA 3.38Å; D588-R679 PolarHBondContact O-N 2.97Å
589Y86Confident82.6Confident57 Ų5783.1 Ų83.122%0.22442%0.42CS..PPolyproline II helixtrans-98.7138.8169.3-65.3-79.9000111.1K591 E725 F738Y589-K591 PolarHBondContact O-N 3.4Å; Y589-E725 WeakPolarHBondContact CE2-OE2 3.37Å; Y589-E725 PolarHBondContact OH-OE1 3.05Å; Y589-E725 PolarHBondContact OH-OE2 3.02Å; Y589-E725 VanDerWaalsContact OH-OE2 3.09Å; Y589-F738 VanDerWaalsContact CB-CE1 3.42Å; Y589-F738 HydrophobicContact CD1-CB 4.13Å; Y589-F738 HydrophobicContact CD1-CD1 4.17Å; Y589-F738 AromaticContact CD1-CD2 3.57Å; Y589-F738 HydrophobicContact CD1-CD2 3.57Å; Y589-F738 HydrophobicContact CD1-CE1 4.44Å; Y589-F738 AromaticContact CD1-CE2 3.9Å; Y589-F738 HydrophobicContact CD1-CE2 3.9Å; Y589-F738 AromaticContact CD1-CG 3.68Å; Y589-F738 HydrophobicContact CD1-CG 3.68Å; Y589-F738 HydrophobicContact CD1-CZ 4.3Å; Y589-F738 HydrophobicContact CD2-CD1 4.45Å; Y589-F738 HydrophobicContact CD2-CD2 4.49Å; Y589-F738 AromaticContact CD2-CE1 3.98Å; Y589-F738 HydrophobicContact CD2-CE1 3.98Å; Y589-F738 HydrophobicContact CD2-CE2 4.05Å; Y589-F738 AromaticContact CD2-CZ 3.75Å; Y589-F738 HydrophobicContact CD2-CZ 3.75Å; Y589-F738 HydrophobicContact CE1-CD2 4.03Å; Y589-F738 HydrophobicContact CE1-CE2 4.14Å; Y589-F738 HydrophobicContact CE2-CE2 4.27Å; Y589-F738 HydrophobicContact CE2-CZ 4.25Å; Y589-F738 HydrophobicContact CG-CB 4.47Å; Y589-F738 AromaticContact CG-CD1 3.73Å; Y589-F738 HydrophobicContact CG-CD1 3.73Å; Y589-F738 AromaticContact CG-CD2 3.85Å; Y589-F738 HydrophobicContact CG-CD2 3.85Å; Y589-F738 AromaticContact CG-CE1 3.72Å; Y589-F738 HydrophobicContact CG-CE1 3.72Å; Y589-F738 AromaticContact CG-CE2 3.87Å; Y589-F738 HydrophobicContact CG-CE2 3.87Å; Y589-F738 AromaticContact CG-CG 3.74Å; Y589-F738 HydrophobicContact CG-CG 3.74Å; Y589-F738 AromaticContact CG-CZ 3.78Å; Y589-F738 HydrophobicContact CG-CZ 3.78Å
590Q84.8Confident80.2Confident23 Ų2389.4 Ų89.411%0.10745%0.453CS..BIsolated β-bridgetrans-77.1117.8177.6-57.1177.540.300109.6T674 F678 F738 L739 I741Q590-T674 PolarHBondContact NE2-OG1 2.85Å; Q590-F678 HydrophobicContact CB-CD1 4.13Å; Q590-F678 HydrophobicContact CB-CE1 4.3Å; Q590-F678 HydrophobicContact CG-CB 3.79Å; Q590-F678 HydrophobicContact CG-CD1 3.24Å; Q590-F678 HydrophobicContact CG-CD2 4.07Å; Q590-F678 HydrophobicContact CG-CE1 3.72Å; Q590-F678 HydrophobicContact CG-CE2 4.46Å; Q590-F678 HydrophobicContact CG-CG 3.41Å; Q590-F678 VanDerWaalsContact CG-CG 3.41Å; Q590-F678 HydrophobicContact CG-CZ 4.3Å; Q590-F738 WeakPolarHBondContact O-CA 3.23Å; Q590-L739 WeakPolarHBondContact CB-O 3.38Å; Q590-L739 PolarHBondContact O-N 3.45Å; Q590-I741 VanDerWaalsContact OE1-CG2 3.26Å
591K80.7Confident77.4Confident165 Ų16597.7 Ų97.772%0.71749%0.492SS*.PPolyproline II helixtrans-78.9142.1174.3-60.6-174.3-179.2-170.60110Y589Y589-K591 PolarHBondContact O-N 3.4Å
592G75.5Confident74.6Confident49 Ų49104.6 Ų104.651%0.50553%0.528SS..PPolyproline II helixtrans-80.5153.5172.200000112.7L739G592-L739 VanDerWaalsContact CA-CD1 3.49Å
593Y76.2Confident71.6Confident212 Ų212109.9 Ų109.983%0.83156%0.56SS**  trans-118.2131.9169.7-173.6-93.8000109.6I595Y593-I595 HydrophobicContact CD1-CG1 4.44Å
594V76.1Confident68.6Low123 Ų123118 Ų11875%0.74560%0.598SS**  trans-85.8116.6179.6179.90000109
595I74.1Confident65.7Low142 Ų142122.2 Ų122.273%0.72862%0.622SS**  trans-83.9116.1171.3-57173.6000107.8Y593 K597Y593-I595 HydrophobicContact CD1-CG1 4.44Å; I595-K597 PolarHBondContact O-N 2.95Å
596Q65.4Low62.7Low179 Ų179128.8 Ų128.884%0.83666%0.659SS**  trans-74.1110.5168-72.11800.400108.4Q598Q596-Q598 PolarHBondContact O-N 3.22Å
597K67.9Low60.2Low201 Ų201135.6 Ų135.687%0.87469%0.691SS**  trans-69.5112.6165.9-84.1-175.4172.9-175.90107.4I595 S599I595-K597 PolarHBondContact O-N 2.95Å; K597-S599 PolarHBondContact O-N 3.22Å; K597-S599 VanDerWaalsContact O-N 3.12Å
598Q58.4Low57.6Low172 Ų172136 Ų13680%0.80470%0.698SS**  trans-61.7114.2159.9-76.4179.2-13.500106.6Q596 N600Q596-Q598 PolarHBondContact O-N 3.22Å; Q598-N600 PolarHBondContact O-N 3.15Å
599S49.5Very low55.2Low104 Ų104138.1 Ų138.173%0.72771%0.708SS**  trans-66.393.2166.148.10000106.5K597 E601K597-S599 PolarHBondContact O-N 3.22Å; K597-S599 VanDerWaalsContact O-N 3.12Å; S599-E601 PolarHBondContact O-N 3.25Å
600N46.5Very low52.5Low132 Ų132140.5 Ų140.571%0.70673%0.728SS**  trans-68.692.3157.5-70.7-3.2000105.1Q598 I602Q598-N600 PolarHBondContact O-N 3.15Å; N600-I602 VanDerWaalsContact C-N 3.3Å; N600-I602 PolarHBondContact O-N 3.45Å
601E40.6Very low49.8Very low174 Ų174146 Ų14681%0.81376%0.758SS**  trans-53.7104.9155.7-78.4-179.1158.800105.8S599 T603S599-E601 PolarHBondContact O-N 3.25Å; E601-T603 PolarHBondContact O-N 3.38Å
602I40.8Very low47.3Very low147 Ų147145.3 Ų145.375%0.75476%0.758SS**  trans-70.994.8165.6-62.4171.2000104.4N600 Q604N600-I602 VanDerWaalsContact C-N 3.3Å; N600-I602 PolarHBondContact O-N 3.45Å; I602-Q604 VanDerWaalsContact C-N 3.28Å; I602-Q604 HydrophobicContact CG2-CG 4.33Å; I602-Q604 PolarHBondContact O-N 3.17Å
603T33.7Very low45Very low115 Ų115150.7 Ų150.771%0.70677%0.77SS**  trans-60.1100.9154.9-13.10000105.8E601 T605E601-T603 PolarHBondContact O-N 3.38Å; T603-T605 HydrophobicContact CG2-CG2 4.49Å; T603-T605 PolarHBondContact O-N 3.39Å
604Q33.2Very low42.9Very low175 Ų175148.4 Ų148.482%0.81877%0.772SS**  trans-64.191.2161.8-78.1-179.5-9.200107.1I602I602-Q604 VanDerWaalsContact C-N 3.28Å; I602-Q604 HydrophobicContact CG2-CG 4.33Å; I602-Q604 PolarHBondContact O-N 3.17Å
605T32.4Very low40.6Very low115 Ų115149.7 Ų149.771%0.70678%0.775SS**  trans-101.3101156.453.30000107T603 N607T603-T605 HydrophobicContact CG2-CG2 4.49Å; T603-T605 PolarHBondContact O-N 3.39Å; T605-N607 PolarHBondContact O-N 3.16Å
606N30.6Very low38.5Very low149 Ų149149 Ų14980%0.79778%0.777SS**  trans-51.5121.8155.4-70.5-23.8000107.4
607N36.8Very low36.8Very low160 Ų160146.7 Ų146.786%0.85677%0.77SS**  trans-161.2116.7143.8-87.3-26.7000108T605T605-N607 PolarHBondContact O-N 3.16Å
608D33.7Very low35Very low157 Ų157144.1 Ų144.184%0.8477%0.766SS**  trans-59.9159.1167.1-70.1-52.2000111.8
609I36.1Very low33.6Very low150 Ų150145.3 Ų145.377%0.76977%0.769SS**  trans133.696.4142.7-64.9166000112.7
610T29.1Very low32.7Very low106 Ų106146 Ų14665%0.6576%0.763SS**  trans41.5114.8135.271.50000120.2
611N28.9Very low31.8Very low138 Ų138148.4 Ų148.474%0.73877%0.77SS**  164.1135.397.7-88.5-33000112.8
612Q28.6Very low31.2Very low151 Ų151147.9 Ų147.971%0.70677%0.767SS**  trans55.5118.2142.7-74.1179.9-48.200121.8
613E26.7Very low30.6Very low162 Ų162146.6 Ų146.676%0.75777%0.769SS**  55.8105.3128.9-64.5175.7-16200117.5
614D31.8Very low30.4Very low165 Ų165146.4 Ų146.488%0.88277%0.772SS**  -148.4135.9122.3-95.4-36.3000111.2
615N28.9Very low30.1Very low150 Ų150142.8 Ų142.880%0.80277%0.766SS**  trans-49.4148.7175.7-73.8-68.3000112.9
616V29.7Very low29.9Very low127 Ų127143.2 Ų143.277%0.7776%0.764SS**  171131.6120.6161.80000109.5
617D29.4Very low29.8Very low131 Ų131142.8 Ų142.870%0.70176%0.761SS**  trans79.761.1167.6-58.9-17.6000120F619D617-F619 PolarHBondContact O-N 3.47Å
618N29.6Very low29.6Very low147 Ų147140.9 Ų140.979%0.78675%0.751SS**  trans-64.8103.2136.9-90.1-26000109.5I620N618-I620 HydrophobicContact CB-CD1 4.22Å; N618-I620 HydrophobicContact CB-CG1 4.15Å; N618-I620 PolarHBondContact O-N 2.81Å
619F30.1Very low29.6Very low196 Ų196139.1 Ų139.186%0.8674%0.741SS**  trans-69.577.2158.9-105.7-93.5000108.6D617 Q621D617-F619 PolarHBondContact O-N 3.47Å; F619-Q621 PolarHBondContact O-N 3.08Å
620I30.5Very low29.7Very low119 Ų119138.8 Ų138.861%0.6173%0.73SS**  trans-69.5120.8166-75.6163.1000107.4N618 H622N618-I620 HydrophobicContact CB-CD1 4.22Å; N618-I620 HydrophobicContact CB-CG1 4.15Å; N618-I620 PolarHBondContact O-N 2.81Å; I620-H622 PolarHBondContact O-N 3.2Å; I620-H622 VanDerWaalsContact O-N 3.12Å
621Q27.1Very low30.3Very low183 Ų183136.2 Ų136.286%0.85571%0.712SS**  trans-50.9112.3161.9-74.2171.5-40.200109.3F619F619-Q621 PolarHBondContact O-N 3.08Å
622H28.3Very low30.9Very low163 Ų163132.2 Ų132.276%0.75570%0.695SS**  trans-77.4132.3154.2-74.8-75.7000107.7I620 S624I620-H622 PolarHBondContact O-N 3.2Å; I620-H622 VanDerWaalsContact O-N 3.12Å; H622-S624 PolarHBondContact O-N 3.38Å
623P28.2Very low31.7Very low120 Ų120127.3 Ų127.378%0.77968%0.675SS**  trans-64.1110.7164.427.2-27.8000105.6S625P623-S625 VanDerWaalsContact C-N 3.34Å; P623-S625 PolarHBondContact O-N 3Å
624S28Very low32.5Very low111 Ų111124.1 Ų124.178%0.77667%0.67SS**  trans-55.3108165.2-57.40000106H622 N626H622-S624 PolarHBondContact O-N 3.38Å; S624-N626 PolarHBondContact O-N 2.92Å; S624-N626 VanDerWaalsContact O-N 3.12Å
625S27.8Very low33.2Very low98 Ų98120 Ų12069%0.68565%0.648SS**  trans-49.1122.7165.139.90000106.7P623 L627P623-S625 VanDerWaalsContact C-N 3.34Å; P623-S625 PolarHBondContact O-N 3Å; S625-L627 PolarHBondContact O-N 2.93Å
626N29.1Very low33.9Very low125 Ų125113 Ų11367%0.66861%0.612SS**  trans-53.787.9171.7-91.6-32.6000109S624 N628S624-N626 PolarHBondContact O-N 2.92Å; S624-N626 VanDerWaalsContact O-N 3.12Å; N626-N628 PolarHBondContact O-N 3.41Å
627L28Very low34.4Very low139 Ų139115.1 Ų115.173%0.72861%0.61SS**  trans-78.767.9162.1-131.289.8000106.4S625 L629S625-L627 PolarHBondContact O-N 2.93Å; L627-L629 HydrophobicContact CD2-CD1 3.71Å; L627-L629 HydrophobicContact CG-CD1 4.36Å; L627-L629 PolarHBondContact O-N 3Å
628N31.5Very low35.1Very low121 Ų121118.2 Ų118.265%0.64762%0.618SS**  trans-65.187.7157.1-89.9-37.6000105.8N626 R630N626-N628 PolarHBondContact O-N 3.41Å; N628-R630 PolarHBondContact O-N 3.42Å
629L33.5Very low35.7Very low120 Ų120115.9 Ų115.963%0.62860%0.604SS**  trans-69.378.1173-146.292.1000107.3L627 L631L627-L629 HydrophobicContact CD2-CD1 3.71Å; L627-L629 HydrophobicContact CG-CD1 4.36Å; L627-L629 PolarHBondContact O-N 3Å; L629-L631 HydrophobicContact CD2-CD1 4.26Å; L629-L631 HydrophobicContact CD2-CD2 4.39Å; L629-L631 HydrophobicContact CD2-CG 4.07Å; L629-L631 PolarHBondContact O-N 3.36Å
630R38.8Very low36Very low142 Ų142110.5 Ų110.554%0.53661%0.605SS.*  trans-74.378.7171.8-152.8-171.6-147.5164.112.8106.4N628 S632 N657N628-R630 PolarHBondContact O-N 3.42Å; R630-S632 PolarHBondContact O-N 3.19Å; R630-N657 VanDerWaalsContact CZ-C 3.48Å; R630-N657 VanDerWaalsContact NE-CA 3.32Å; R630-N657 PolarHBondContact NE-O 2.57Å; R630-N657 PolarHBondContact NH1-OD1 3.39Å; R630-N657 PolarHBondContact NH2-O 2.78Å
631L41.6Very low36.7Very low53 Ų53109.6 Ų109.628%0.27760%0.596SS.*  trans-54.3124174.8-81.8152.4000108.3L629 D635 I639 L661L629-L631 HydrophobicContact CD2-CD1 4.26Å; L629-L631 HydrophobicContact CD2-CD2 4.39Å; L629-L631 HydrophobicContact CD2-CG 4.07Å; L629-L631 PolarHBondContact O-N 3.36Å; L631-D635 HydrophobicContact CD2-CB 3.5Å; L631-I639 HydrophobicContact CD2-CD1 4.36Å; L631-L661 HydrophobicContact CB-CD1 3.77Å; L631-L661 HydrophobicContact CD1-CD1 3.58Å; L631-L661 HydrophobicContact CG-CD1 4.31Å
632S42.8Very low37.7Very low54 Ų54109.1 Ų109.138%0.37859%0.592SS.*  trans-67150.6170.275.90000108.3R630 S634 D635 A636R630-S632 PolarHBondContact O-N 3.19Å; S632-S634 PolarHBondContact O-N 2.68Å; S632-S634 WeakPolarHBondContact OG-CB 3.47Å; S632-D635 WeakPolarHBondContact CB-OD2 3.28Å; S632-D635 PolarHBondContact N-OD2 3.4Å; S632-D635 VanDerWaalsContact N-OD2 3.15Å; S632-D635 WeakPolarHBondContact O-CB 3.29Å; S632-D635 PolarHBondContact O-N 2.86Å; S632-D635 VanDerWaalsContact OG-CG 3.26Å; S632-D635 PolarHBondContact OG-OD2 3.23Å; S632-A636 PolarHBondContact O-N 3.41Å
633V44.7Very low38.9Very low48 Ų48102.8 Ų102.829%0.29156%0.563SS.*Hα-helixtrans-62.4-19.4179.7169.70000112.7D635 M656V633-D635 VanDerWaalsContact C-N 3.32Å; V633-M656 HydrophobicContact CB-CE 3.71Å; V633-M656 HydrophobicContact CB-SD 3.77Å; V633-M656 HydrophobicContact CG1-CE 3.88Å; V633-M656 HydrophobicContact CG2-CE 3.29Å; V633-M656 HydrophobicContact CG2-CG 4.35Å; V633-M656 HydrophobicContact CG2-SD 3.35Å; V633-M656 WeakPolarHBondContact CG2-SD 3.2Å
634S43.8Very low39.9Very low94 Ų94100.8 Ų100.866%0.65755%0.546SS*.Hα-helixtrans-59.9-40.5168.1-43.40000112.2S632S632-S634 PolarHBondContact O-N 2.68Å; S632-S634 WeakPolarHBondContact OG-CB 3.47Å
635D45.1Very low40.8Very low78 Ų78101.1 Ų101.142%0.41754%0.539SS..Hα-helixtrans-76.4-34.9-178.4-54.9-45000111.8L631 S632 V633 K637 F638L631-D635 HydrophobicContact CD2-CB 3.5Å; S632-D635 WeakPolarHBondContact CB-OD2 3.28Å; S632-D635 PolarHBondContact N-OD2 3.4Å; S632-D635 VanDerWaalsContact N-OD2 3.15Å; S632-D635 WeakPolarHBondContact O-CB 3.29Å; S632-D635 PolarHBondContact O-N 2.86Å; S632-D635 VanDerWaalsContact OG-CG 3.26Å; S632-D635 PolarHBondContact OG-OD2 3.23Å; V633-D635 VanDerWaalsContact C-N 3.32Å; D635-K637 PolarHBondContact O-N 3.4Å; D635-F638 PolarHBondContact O-N 2.84Å; D635-F638 VanDerWaalsContact O-N 3.16Å
636A45.1Very low41.9Very low5 Ų598.8 Ų98.84%0.04152%0.519CS..Hα-helixtrans-64.1-25.7178.300000113.1S632 F638 L643S632-A636 PolarHBondContact O-N 3.41Å; A636-F638 VanDerWaalsContact C-N 3.32Å; A636-F638 PolarHBondContact O-N 2.96Å; A636-L643 HydrophobicContact CB-CD1 3.8Å
637K39.7Very low42.8Very low170 Ų17098.4 Ų98.474%0.73952%0.516SS*.THydrogen-bonded Turntrans-70.8-24.4177-124.5177.9-176179.70113.3D635D635-K637 PolarHBondContact O-N 3.4Å
638F42.8Very low44Very low196 Ų19699.4 Ų99.486%0.8651%0.514SS*.THydrogen-bonded Turntrans-88-16.8-176.5-122.8-90.6000113.5D635 A636D635-F638 PolarHBondContact O-N 2.84Å; D635-F638 VanDerWaalsContact O-N 3.16Å; A636-F638 VanDerWaalsContact C-N 3.32Å; A636-F638 PolarHBondContact O-N 2.96Å
639I42.6Very low44.8Very low98 Ų9899.8 Ų99.850%0.50352%0.516SS..THydrogen-bonded Turntrans-108.652-171.5-44.9168.6000110.4L631 F641L631-I639 HydrophobicContact CD2-CD1 4.36Å; I639-F641 HydrophobicContact CB-CD2 3.82Å; I639-F641 HydrophobicContact CB-CE2 3.81Å; I639-F641 HydrophobicContact CD1-CE2 4.37Å; I639-F641 HydrophobicContact CG2-CD2 4.31Å; I639-F641 HydrophobicContact CG2-CE2 3.96Å; I639-F641 WeakPolarHBondContact O-CD2 3.16Å; I639-F641 PolarHBondContact O-N 3.29Å
640G37.6Very low45.8Very low84 Ų8499.5 Ų99.587%0.86652%0.522SS*.THydrogen-bonded Turntrans48.119.7167.300000117.4
641F44.2Very low46.6Very low99 Ų9995.1 Ų95.143%0.43451%0.508SS..  trans-74.8135.2-171.6-87.4-78.8000108.6I639 L643I639-F641 HydrophobicContact CB-CD2 3.82Å; I639-F641 HydrophobicContact CB-CE2 3.81Å; I639-F641 HydrophobicContact CD1-CE2 4.37Å; I639-F641 HydrophobicContact CG2-CD2 4.31Å; I639-F641 HydrophobicContact CG2-CE2 3.96Å; I639-F641 WeakPolarHBondContact O-CD2 3.16Å; I639-F641 PolarHBondContact O-N 3.29Å; F641-L643 HydrophobicContact CB-CD1 3.95Å; F641-L643 PolarHBondContact O-N 2.88Å
642K48.7Very low47.1Very low174 Ų17495.4 Ų95.476%0.75751%0.514SS*.  trans-72.277.8168.8-153.1174.3-172.9-176.80108.3D644K642-D644 WeakPolarHBondContact CE-OD2 3.29Å; K642-D644 VanDerWaalsContact CG-OD2 3.31Å; K642-D644 WeakPolarHBondContact CG-OD2 3.12Å; K642-D644 PolarHBondContact O-N 2.84Å; K642-D644 VanDerWaalsContact O-N 3.11Å
643L52.6Low47.5Very low29 Ų2999.9 Ų99.915%0.15253%0.533CS..THydrogen-bonded Turntrans-75.310.7-176.1-127.6110.4000113.1A636 F641 N645 L646 L647A636-L643 HydrophobicContact CB-CD1 3.8Å; F641-L643 HydrophobicContact CB-CD1 3.95Å; F641-L643 PolarHBondContact O-N 2.88Å; L643-N645 PolarHBondContact O-N 2.76Å; L643-L646 HydrophobicContact CD2-CB 3.64Å; L643-L646 HydrophobicContact CD2-CD1 3.95Å; L643-L646 HydrophobicContact CD2-CG 4.44Å; L643-L646 HydrophobicContact CG-CB 4.07Å; L643-L646 HydrophobicContact CG-CD1 3.98Å; L643-L646 PolarHBondContact O-N 3.08Å; L643-L647 HydrophobicContact CB-CD1 4.16Å; L643-L647 PolarHBondContact O-N 2.74Å
644D49.6Very low48.1Very low78 Ų78104.3 Ų104.342%0.41755%0.55SS..Hα-helixtrans-52.7-29-175.2-62.5-16.4000113K642 K648K642-D644 WeakPolarHBondContact CE-OD2 3.29Å; K642-D644 VanDerWaalsContact CG-OD2 3.31Å; K642-D644 WeakPolarHBondContact CG-OD2 3.12Å; K642-D644 PolarHBondContact O-N 2.84Å; K642-D644 VanDerWaalsContact O-N 3.11Å; D644-K648 VanDerWaalsContact O-CG 3.32Å; D644-K648 WeakPolarHBondContact O-CG 3.38Å; D644-K648 PolarHBondContact O-N 2.96Å
645N48.2Very low48.5Very low119 Ų119104.6 Ų104.664%0.63654%0.541SS*.Hα-helixtrans-78.4-32.4177.4-71-18.6000113.5L643L643-N645 PolarHBondContact O-N 2.76Å
646L50.2Low48.8Very low49 Ų49103.3 Ų103.326%0.25753%0.533SS..Hα-helixtrans-83.5-26.1177-75171.3000112.2L643 N649 I651L643-L646 HydrophobicContact CD2-CB 3.64Å; L643-L646 HydrophobicContact CD2-CD1 3.95Å; L643-L646 HydrophobicContact CD2-CG 4.44Å; L643-L646 HydrophobicContact CG-CB 4.07Å; L643-L646 HydrophobicContact CG-CD1 3.98Å; L643-L646 PolarHBondContact O-N 3.08Å; L646-N649 CarbonylContact O-C 3.5Å; L646-I651 HydrophobicContact CD2-CD1 3.3Å; L646-I651 HydrophobicContact CD2-CG1 3.97Å
647L48.3Very low49.1Very low117 Ų117107.2 Ų107.261%0.61355%0.553SS**Hα-helixtrans-76-28176.7-77.1161.5000113.1L643L643-L647 HydrophobicContact CB-CD1 4.16Å; L643-L647 PolarHBondContact O-N 2.74Å
648K52.6Low49.9Very low159 Ų159105.9 Ų105.969%0.69155%0.554SS**SBendtrans-73.8-24.6178.7-78.6175.3-177.6177.20113.7D644D644-K648 VanDerWaalsContact O-CG 3.32Å; D644-K648 WeakPolarHBondContact O-CG 3.38Å; D644-K648 PolarHBondContact O-N 2.96Å
649N49.3Very low50.8Low129 Ų12998.7 Ų98.769%0.6953%0.526SS*.SBendtrans-144.295.2175.8-76.3-39.6000109.2L646 I651L646-N649 CarbonylContact O-C 3.5Å; N649-I651 PolarHBondContact O-N 2.92Å; N649-I651 VanDerWaalsContact O-N 3.08Å
650P52.5Low52.3Low115 Ų115101.7 Ų101.775%0.74754%0.538SS*.  trans-61.7115.6-179.222.1-30000110.4
651I55.7Low54.2Low49 Ų49101.2 Ų101.225%0.25152%0.515SS..  trans-69.6125.8176.4-59.6-179.3000108.3L646 N649 L653 Q655 M656 V659L646-I651 HydrophobicContact CD2-CD1 3.3Å; L646-I651 HydrophobicContact CD2-CG1 3.97Å; N649-I651 PolarHBondContact O-N 2.92Å; N649-I651 VanDerWaalsContact O-N 3.08Å; I651-L653 PolarHBondContact O-N 2.98Å; I651-Q655 HydrophobicContact CG2-CB 3.41Å; I651-Q655 VanDerWaalsContact CG2-CB 3.41Å; I651-M656 HydrophobicContact CG2-CG 4.44Å; I651-V659 HydrophobicContact CD1-CG2 3.98Å
652P52.2Low56.1Low60 Ų6099.1 Ų99.139%0.3951%0.508SS..  trans-52.8139.5174.8-26.233.9000111.8H654 Q655 M656P652-H654 WeakPolarHBondContact CB-CE1 2.93Å; P652-H654 WeakPolarHBondContact CB-ND1 3.27Å; P652-H654 PolarHBondContact O-N 3.46Å; P652-Q655 WeakPolarHBondContact O-CA 3.48Å; P652-Q655 WeakPolarHBondContact O-CB 3.37Å; P652-Q655 PolarHBondContact O-N 3.1Å; P652-M656 PolarHBondContact O-N 2.91Å
653L51.7Low58.1Low148 Ų14895.4 Ų95.478%0.77550%0.501SS*.Hα-helixtrans-51.7-32-173.3-129.690.2000114.1I651 Q655 M656I651-L653 PolarHBondContact O-N 2.98Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 2.98Å; L653-M656 HydrophobicContact CD1-SD 4.5Å; L653-M656 WeakPolarHBondContact O-CB 3.25Å; L653-M656 PolarHBondContact O-N 2.75Å
654H57.9Low59.8Low141 Ų14196.8 Ų96.865%0.65351%0.511SS*.Hα-helixtrans-71.1-23.3178.168.3-88.1000113.7P652P652-H654 WeakPolarHBondContact CB-CE1 2.93Å; P652-H654 WeakPolarHBondContact CB-ND1 3.27Å; P652-H654 PolarHBondContact O-N 3.46Å
655Q52.1Low62Low100 Ų10097.8 Ų97.847%0.46751%0.51SS..Hα-helixtrans-88.5-16.8174.5-69.8177.72.200112.5I651 P652 L653 N657 N658I651-Q655 HydrophobicContact CG2-CB 3.41Å; I651-Q655 VanDerWaalsContact CG2-CB 3.41Å; P652-Q655 WeakPolarHBondContact O-CA 3.48Å; P652-Q655 WeakPolarHBondContact O-CB 3.37Å; P652-Q655 PolarHBondContact O-N 3.1Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 2.98Å; Q655-N657 PolarHBondContact O-N 3.41Å; Q655-N658 PolarHBondContact O-N 3.15Å
656M50.2Low64.2Low51 Ų5192.5 Ų92.525%0.25148%0.482SS..Hα-helixtrans-61-27.8177-73.2-161.4159.100113.2V633 I651 P652 L653 N658 V659V633-M656 HydrophobicContact CB-CE 3.71Å; V633-M656 HydrophobicContact CB-SD 3.77Å; V633-M656 HydrophobicContact CG1-CE 3.88Å; V633-M656 HydrophobicContact CG2-CE 3.29Å; V633-M656 HydrophobicContact CG2-CG 4.35Å; V633-M656 HydrophobicContact CG2-SD 3.35Å; V633-M656 WeakPolarHBondContact CG2-SD 3.2Å; I651-M656 HydrophobicContact CG2-CG 4.44Å; P652-M656 PolarHBondContact O-N 2.91Å; L653-M656 HydrophobicContact CD1-SD 4.5Å; L653-M656 WeakPolarHBondContact O-CB 3.25Å; L653-M656 PolarHBondContact O-N 2.75Å; M656-N658 PolarHBondContact O-N 3.37Å; M656-V659 PolarHBondContact O-N 3.21Å
657N52.1Low66.5Low87 Ų8790.3 Ų90.347%0.46547%0.471SS..THydrogen-bonded Turntrans-56.4-33.7171.4-86.3-11.7000111R630 Q655 V659R630-N657 VanDerWaalsContact CZ-C 3.48Å; R630-N657 VanDerWaalsContact NE-CA 3.32Å; R630-N657 PolarHBondContact NE-O 2.57Å; R630-N657 PolarHBondContact NH1-OD1 3.39Å; R630-N657 PolarHBondContact NH2-O 2.78Å; Q655-N657 PolarHBondContact O-N 3.41Å; N657-V659 PolarHBondContact O-N 2.89Å
658N56.5Low68.9Low141 Ų14185.1 Ų85.175%0.75444%0.443SS*.THydrogen-bonded Turntrans-94.416.3-179-69.2-4.9000114.4Q655 M656 Q660Q655-N658 PolarHBondContact O-N 3.15Å; M656-N658 PolarHBondContact O-N 3.37Å; N658-Q660 PolarHBondContact O-N 3.45Å
659V62.6Low71.1Confident45 Ų4577.5 Ų77.527%0.27341%0.41SS..  trans-88.7109.3177.9-179.70000109.6I651 M656 N657I651-V659 HydrophobicContact CD1-CG2 3.98Å; M656-V659 PolarHBondContact O-N 3.21Å; N657-V659 PolarHBondContact O-N 2.89Å
660Q73Confident73.4Confident162 Ų16272.5 Ų72.576%0.75738%0.383SS*.  trans-92123.3170.9-172.3175.514.900109.7N658 I662N658-Q660 PolarHBondContact O-N 3.45Å; Q660-I662 HydrophobicContact CG-CG2 4.23Å
661L78.2Confident75.6Confident73 Ų7367 Ų6738%0.38235%0.348SS..  trans-88.9128.5171.8-70.2167.3000109.3L631L631-L661 HydrophobicContact CB-CD1 3.77Å; L631-L661 HydrophobicContact CD1-CD1 3.58Å; L631-L661 HydrophobicContact CG-CD1 4.31Å
662I84.5Confident77.6Confident55 Ų5565.3 Ų65.328%0.28234%0.338SS..  trans-122144.8174.765.5172.5000110.2A566 A573 G574 Q660A566-I662 HydrophobicContact CB-CD1 4.09Å; A566-I662 HydrophobicContact CB-CG1 4.43Å; A573-I662 HydrophobicContact CB-CD1 3.88Å; G574-I662 VanDerWaalsContact N-CD1 3.3Å; Q660-I662 HydrophobicContact CG-CG2 4.23Å
663P89.8Confident79.8Confident96 Ų9662.5 Ų62.562%0.62332%0.32SS*.  trans-58.8141.9169.4-23.333.3000111.6Y665 A666P663-Y665 PolarHBondContact O-N 3.42Å; P663-Y665 VanDerWaalsContact O-N 3.1Å; P663-A666 HydrophobicContact CB-CB 4.32Å; P663-A666 WeakPolarHBondContact O-CB 3.4Å; P663-A666 PolarHBondContact O-N 3.41Å
664T89.1Confident81.9Confident58 Ų5855.4 Ų55.436%0.35628%0.283SS..THydrogen-bonded Turntrans-55.2-33.1-178-57.50000114T565 A566 D567T565-T664 WeakPolarHBondContact CA-O 3.42Å; T565-T664 VanDerWaalsContact CB-O 3.26Å; T565-T664 WeakPolarHBondContact CB-O 3.22Å; T565-T664 HydrophobicContact CG2-CG2 4.07Å; A566-T664 PolarHBondContact N-O 2.78Å; D567-T664 HydrophobicContact CB-CG2 4.27Å; D567-T664 VanDerWaalsContact CG-CG2 3.45Å; D567-T664 WeakPolarHBondContact OD1-CG2 3.17Å
665Y94.6Very high83.7Confident100 Ų10050.4 Ų50.439%0.39226%0.262SS..THydrogen-bonded Turntrans-100.817.9179-76.3-91.8000113.5T565 P663 F668 T747T565-Y665 HydrophobicContact CG2-CD1 3.59Å; T565-Y665 HydrophobicContact CG2-CD2 4.03Å; T565-Y665 HydrophobicContact CG2-CE1 3.42Å; T565-Y665 VanDerWaalsContact CG2-CE1 3.42Å; T565-Y665 HydrophobicContact CG2-CE2 3.87Å; T565-Y665 HydrophobicContact CG2-CG 3.89Å; P663-Y665 PolarHBondContact O-N 3.42Å; P663-Y665 VanDerWaalsContact O-N 3.1Å; Y665-F668 WeakPolarHBondContact O-CD2 3.41Å; Y665-T747 WeakPolarHBondContact O-CB 3.13Å; Y665-T747 PolarHBondContact O-OG1 3.42Å
666A95.4Very high85.8Confident7 Ų747.4 Ų47.46%0.05826%0.255CS..THydrogen-bonded Turntrans-67.7155.7174.700000112.1K577 P663 F668K577-A666 WeakPolarHBondContact CE-O 3.34Å; K577-A666 PolarHBondContact NZ-O 3.36Å; K577-A666 VanDerWaalsContact NZ-O 3.14Å; P663-A666 HydrophobicContact CB-CB 4.32Å; P663-A666 WeakPolarHBondContact O-CB 3.4Å; P663-A666 PolarHBondContact O-N 3.41Å; A666-F668 VanDerWaalsContact O-CD2 3.31Å; A666-F668 WeakPolarHBondContact O-CD2 3.24Å; A666-F668 PolarHBondContact O-N 3.31Å
667D97.9Very high87.7Confident3 Ų345.8 Ų45.82%0.01625%0.251CS..THydrogen-bonded Turntrans67.531.1170.4-34.5-61.7000114.9Y457 G574 K575 P576 K577 T747 T749Y457-D667 HydrophobicContact CE1-CB 4.31Å; Y457-D667 WeakPolarHBondContact OH-CB 3.43Å; Y457-D667 VanDerWaalsContact OH-CG 3.3Å; Y457-D667 PolarHBondContact OH-OD1 2.96Å; G574-D667 WeakPolarHBondContact CA-OD2 3.31Å; G574-D667 PolarHBondContact N-OD2 3.01Å; K575-D667 WeakPolarHBondContact O-CB 3.48Å; P576-D667 CarbonylContact C-O 3.57Å; P576-D667 WeakPolarHBondContact CA-O 3.29Å; K577-D667 PolarHBondContact N-O 2.97Å; D667-T747 PolarHBondContact N-O 2.89Å; D667-T749 PolarHBondContact OD1-OG1 3.01Å
668F98.6Very high89.7Confident8 Ų844.5 Ų44.54%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-99.7147.4171-75.5-99.6000111.9T561 F564 T565 K577 F579 Y665 A666 L670 H746 T747 L748T561-F668 WeakPolarHBondContact O-CE1 3.12Å; F564-F668 HydrophobicContact CB-CE1 4.11Å; F564-F668 HydrophobicContact CB-CZ 4.04Å; F564-F668 WeakPolarHBondContact O-CZ 3.37Å; T565-F668 HydrophobicContact CG2-CE2 4.32Å; T565-F668 HydrophobicContact CG2-CZ 4.23Å; K577-F668 HydrophobicContact CB-CD1 3.8Å; K577-F668 HydrophobicContact CB-CE1 3.97Å; K577-F668 HydrophobicContact CB-CG 4.21Å; K577-F668 HydrophobicContact CD-CD1 4.39Å; K577-F668 HydrophobicContact CD-CD2 4.32Å; K577-F668 HydrophobicContact CD-CE1 3.88Å; K577-F668 HydrophobicContact CD-CE2 3.83Å; K577-F668 HydrophobicContact CD-CZ 3.59Å; K577-F668 VanDerWaalsContact CE-CZ 3.46Å; K577-F668 WeakPolarHBondContact O-CA 3.38Å; F579-F668 HydrophobicContact CD2-CD1 4.34Å; F579-F668 AromaticContact CE2-CD1 3.89Å; F579-F668 HydrophobicContact CE2-CD1 3.89Å; F579-F668 AromaticContact CE2-CE1 3.92Å; F579-F668 HydrophobicContact CE2-CE1 3.92Å; Y665-F668 WeakPolarHBondContact O-CD2 3.41Å; A666-F668 VanDerWaalsContact O-CD2 3.31Å; A666-F668 WeakPolarHBondContact O-CD2 3.24Å; A666-F668 PolarHBondContact O-N 3.31Å; F668-L670 HydrophobicContact CB-CD1 4.04Å; F668-L670 HydrophobicContact CD1-CD1 4.43Å; F668-H746 CarbonylContact O-C 3.57Å; F668-H746 WeakPolarHBondContact O-CA 3.31Å; F668-H746 WeakPolarHBondContact O-CB 3.34Å; F668-T747 PolarHBondContact N-OG1 3.4Å; F668-T747 PolarHBondContact O-N 3.16Å; F668-L748 PolarHBondContact O-N 2.92Å
669L98.7Very high91.3Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-134.6126.5163.1179.4150.2000108.6K577 L578 F579 F580 I707 L708 V744 R745 H746 L748K577-L669 PolarHBondContact O-N 3.32Å; L578-L669 CarbonylContact C-O 3.49Å; L578-L669 HydrophobicContact CD2-CB 3.66Å; L578-L669 HydrophobicContact CD2-CG 4.48Å; F579-L669 PolarHBondContact N-O 3.01Å; F580-L669 HydrophobicContact CE1-CD2 4.49Å; L669-I707 HydrophobicContact CD1-CG2 3.91Å; L669-L708 HydrophobicContact CD1-CD2 3.67Å; L669-L708 HydrophobicContact CD1-CG 4.41Å; L669-V744 HydrophobicContact CD1-CG2 4.15Å; L669-V744 HydrophobicContact CD2-CG2 4.17Å; L669-V744 HydrophobicContact CG-CG2 3.95Å; L669-R745 CarbonylContact C-O 3.57Å; L669-R745 WeakPolarHBondContact CA-O 3.28Å; L669-H746 HydrophobicContact CB-CB 4.1Å; L669-H746 HydrophobicContact CD1-CB 4.34Å; L669-H746 HydrophobicContact CG-CB 4.19Å; L669-L748 HydrophobicContact CB-CD1 4.07Å; L669-L748 HydrophobicContact CB-CD2 4.37Å; L669-L748 HydrophobicContact CB-CG 4.15Å; L669-L748 HydrophobicContact CD1-CD1 3.65Å
670L98.6Very high92.8Very high24 Ų2440.4 Ų40.413%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-117.4109.5174.4-70.373.7000107.8I557 T561 F579 F668 Y672 V744 R745I557-L670 HydrophobicContact CG2-CD2 4.16Å; T561-L670 HydrophobicContact CG2-CD2 3.93Å; T561-L670 HydrophobicContact CG2-CG 4.4Å; F579-L670 HydrophobicContact CB-CG 4.11Å; F579-L670 WeakPolarHBondContact O-CA 3.3Å; F668-L670 HydrophobicContact CB-CD1 4.04Å; F668-L670 HydrophobicContact CD1-CD1 4.43Å; L670-Y672 HydrophobicContact CB-CD2 4.41Å; L670-Y672 HydrophobicContact CB-CE2 3.67Å; L670-Y672 HydrophobicContact CD2-CE2 4.26Å; L670-Y672 VanDerWaalsContact CD2-OH 3.23Å; L670-Y672 WeakPolarHBondContact CD2-OH 3.42Å; L670-V744 WeakPolarHBondContact O-CA 3.49Å; L670-R745 PolarHBondContact N-O 3.01Å; L670-R745 PolarHBondContact O-N 2.85Å
671S98.4Very high93.5Very high0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-104.8113.2174.6-173.10000109.2F579 F580 I581 Y690F579-S671 PolarHBondContact O-N 3.15Å; F580-S671 WeakPolarHBondContact CA-O 3.45Å; I581-S671 PolarHBondContact N-O 3.46Å; S671-Y690 WeakPolarHBondContact CB-OH 3.27Å; S671-Y690 PolarHBondContact O-OH 3.21Å; S671-Y690 PolarHBondContact OG-OH 2.8Å
672Y98.5Very high93.9Very high13 Ų1334.6 Ų34.65%0.05118%0.181CC..EExtended strand (participates in β ladder)trans-97.6139.5179.6-62.6-91000110.1I557 I581 L670 T674 P742 E743I557-Y672 HydrophobicContact CD1-CE1 3.87Å; I581-Y672 HydrophobicContact CB-CD1 3.94Å; I581-Y672 HydrophobicContact CB-CE1 4.34Å; I581-Y672 HydrophobicContact CD1-CD1 3.97Å; I581-Y672 HydrophobicContact CD1-CE1 3.51Å; I581-Y672 HydrophobicContact CG2-CD1 4.04Å; I581-Y672 HydrophobicContact CG2-CE1 4.34Å; L670-Y672 HydrophobicContact CB-CD2 4.41Å; L670-Y672 HydrophobicContact CB-CE2 3.67Å; L670-Y672 HydrophobicContact CD2-CE2 4.26Å; L670-Y672 VanDerWaalsContact CD2-OH 3.23Å; L670-Y672 WeakPolarHBondContact CD2-OH 3.42Å; Y672-T674 PolarHBondContact O-N 3.17Å; Y672-T674 VanDerWaalsContact O-N 3.13Å; Y672-P742 WeakPolarHBondContact O-CA 3.38Å; Y672-P742 WeakPolarHBondContact O-CB 3.34Å; Y672-E743 PolarHBondContact N-O 3.19Å; Y672-E743 PolarHBondContact O-N 3.36Å
673A97.7Very high93.7Very high0 Ų033.8 Ų33.80%018%0.177CC..SBendtrans-61.2-23178.700000114.3I581 Q582 A680 Y690 Q740 P742I581-A673 PolarHBondContact O-N 2.86Å; Q582-A673 VanDerWaalsContact OE1-CB 3.28Å; A673-A680 HydrophobicContact CB-CB 4.03Å; A673-Y690 HydrophobicContact CB-CD1 3.46Å; A673-Y690 VanDerWaalsContact CB-CD1 3.46Å; A673-Y690 HydrophobicContact CB-CD2 4.38Å; A673-Y690 HydrophobicContact CB-CE1 4.1Å; A673-Y690 HydrophobicContact CB-CG 3.62Å; A673-Q740 PolarHBondContact O-NE2 2.89Å; A673-P742 WeakPolarHBondContact O-CA 3.41Å
674T96.6Very high93.1Very high0 Ų032.6 Ų32.60%017%0.169CC..SBendtrans-146.7155.8178.7-173.20000111.1R585 Q590 Y672 F678 R679 A680 I741R585-T674 HydrophobicContact CB-CG2 4.18Å; R585-T674 VanDerWaalsContact CD-O 3.27Å; R585-T674 WeakPolarHBondContact CD-O 3.48Å; R585-T674 HydrophobicContact CG-CG2 4.16Å; R585-T674 PolarHBondContact NH1-O 3.22Å; Q590-T674 PolarHBondContact NE2-OG1 2.85Å; Y672-T674 PolarHBondContact O-N 3.17Å; Y672-T674 VanDerWaalsContact O-N 3.13Å; T674-F678 VanDerWaalsContact CG2-O 3.25Å; T674-F678 WeakPolarHBondContact CG2-O 3.29Å; T674-R679 PolarHBondContact OG1-O 3.17Å; T674-A680 HydrophobicContact CG2-CB 3.89Å; T674-I741 CarbonylContact C-O 3.54Å; T674-I741 VanDerWaalsContact CA-O 3.32Å; T674-I741 WeakPolarHBondContact CA-O 3.46Å
675V95.6Very high92.6Very high35 Ų3534.4 Ų34.421%0.21218%0.18CC..  trans-61.6153.9166.3-76.20000112.3F678 I741 E743V675-F678 HydrophobicContact CB-CD2 4.34Å; V675-F678 HydrophobicContact CG2-CB 4.44Å; V675-F678 HydrophobicContact CG2-CD2 3.44Å; V675-F678 VanDerWaalsContact CG2-CD2 3.44Å; V675-F678 HydrophobicContact CG2-CE2 3.96Å; V675-F678 HydrophobicContact CG2-CG 4.19Å; V675-F678 PolarHBondContact O-N 3.45Å; V675-I741 HydrophobicContact CB-CG2 4.38Å; V675-I741 HydrophobicContact CG1-CG2 3.67Å; V675-I741 HydrophobicContact CG2-CG2 3.77Å; V675-I741 PolarHBondContact N-O 3.4Å; V675-I741 VanDerWaalsContact N-O 3.07Å; V675-E743 HydrophobicContact CG1-CB 3.94Å; V675-E743 HydrophobicContact CG1-CG 4.41Å
676A94.4Very high92.2Very high38 Ų3831 Ų3131%0.31418%0.175SC..THydrogen-bonded Turntrans-57.7139.417700000112.4F678 E743A676-F678 WeakPolarHBondContact O-CD2 3.37Å; A676-E743 PolarHBondContact N-OE2 3.43Å
677G91.3Very high92Very high16 Ų1630.8 Ų30.817%0.16517%0.173CC..THydrogen-bonded Turntrans96.8-17.9-176.400000114.4R585 G586 E587 D588R585-G677 CarbonylContact O-C 3.56Å; R585-G677 VanDerWaalsContact O-CA 3.25Å; R585-G677 WeakPolarHBondContact O-CA 3.25Å; R585-G677 PolarHBondContact O-N 2.78Å; G586-G677 CarbonylContact C-O 3.6Å; G586-G677 WeakPolarHBondContact CA-O 3.32Å; E587-G677 PolarHBondContact N-O 2.99Å; D588-G677 WeakPolarHBondContact CB-O 3.47Å; D588-G677 PolarHBondContact N-O 3.32Å
678F93.4Very high91.8Very high60 Ų6030.7 Ų30.726%0.26317%0.173SC..BIsolated β-bridgetrans-116.3160.4-165.6-60.9-85.2000114.6R585 G586 D588 Q590 T674 V675 A676R585-F678 CarbonylContact C-O 3.55Å; R585-F678 PolarHBondContact N-O 3.06Å; G586-F678 PolarHBondContact N-O 3.4Å; G586-F678 CarbonylContact O-C 3.56Å; D588-F678 HydrophobicContact CB-CD1 3.78Å; D588-F678 HydrophobicContact CB-CE1 4Å; D588-F678 CarbonylContact O-C 3.56Å; D588-F678 VanDerWaalsContact O-CA 3.27Å; D588-F678 WeakPolarHBondContact O-CA 3.38Å; Q590-F678 HydrophobicContact CB-CD1 4.13Å; Q590-F678 HydrophobicContact CB-CE1 4.3Å; Q590-F678 HydrophobicContact CG-CB 3.79Å; Q590-F678 HydrophobicContact CG-CD1 3.24Å; Q590-F678 HydrophobicContact CG-CD2 4.07Å; Q590-F678 HydrophobicContact CG-CE1 3.72Å; Q590-F678 HydrophobicContact CG-CE2 4.46Å; Q590-F678 HydrophobicContact CG-CG 3.41Å; Q590-F678 VanDerWaalsContact CG-CG 3.41Å; Q590-F678 HydrophobicContact CG-CZ 4.3Å; T674-F678 VanDerWaalsContact CG2-O 3.25Å; T674-F678 WeakPolarHBondContact CG2-O 3.29Å; V675-F678 HydrophobicContact CB-CD2 4.34Å; V675-F678 HydrophobicContact CG2-CB 4.44Å; V675-F678 HydrophobicContact CG2-CD2 3.44Å; V675-F678 VanDerWaalsContact CG2-CD2 3.44Å; V675-F678 HydrophobicContact CG2-CE2 3.96Å; V675-F678 HydrophobicContact CG2-CG 4.19Å; V675-F678 PolarHBondContact O-N 3.45Å; A676-F678 WeakPolarHBondContact O-CD2 3.37Å
679R91.2Very high91.6Very high90 Ų9031.2 Ų31.234%0.3418%0.177SC..  trans-75.6148.7173.6-66.9-178.7-179.4-91.7-7.8112.2E587 D588 T674E587-R679 WeakPolarHBondContact O-CD 3.45Å; E587-R679 PolarHBondContact O-NE 3.11Å; D588-R679 PolarHBondContact O-N 2.97Å; T674-R679 PolarHBondContact OG1-O 3.17Å
680A92.7Very high91.5Very high11 Ų1131.2 Ų31.29%0.09118%0.177CC..  trans-109.4129.6171.100000110.2C584 A673 T674C584-A680 PolarHBondContact SG-N 2.84Å; A673-A680 HydrophobicContact CB-CB 4.03Å; T674-A680 HydrophobicContact CG2-CB 3.89Å
681Q87.6Confident91.4Very high46 Ų4630.1 Ų30.122%0.21517%0.171CC..  trans-86.8149.7-170.2-61.7-58.1-1.600114.7T688 V689 Y723 Q740Q681-T688 WeakPolarHBondContact O-CB 3.13Å; Q681-V689 HydrophobicContact CB-CG2 4.26Å; Q681-Y723 HydrophobicContact CB-CD1 4.5Å; Q681-Y723 HydrophobicContact CG-CD1 4.46Å; Q681-Y723 HydrophobicContact CG-CD2 4.01Å; Q681-Y723 HydrophobicContact CG-CE2 4.41Å; Q681-Y723 HydrophobicContact CG-CG 4.03Å; Q681-Q740 VanDerWaalsContact CB-OE1 3.28Å
682R86.4Confident91.4Very high67 Ų6732.6 Ų32.625%0.25318%0.183SC..EExtended strand (participates in β ladder)trans-140129.4-177.2-176.6167.652.674.71.2110.7S484 T688S484-R682 VanDerWaalsContact N-NH1 3.13Å; S484-R682 WeakPolarHBondContact O-CD 3.43Å; S484-R682 PolarHBondContact O-NH1 3.42Å; S484-R682 PolarHBondContact OG-NH1 3.31Å; R682-T688 HydrophobicContact CB-CG2 3.81Å; R682-T688 HydrophobicContact CG-CG2 3.75Å
683D81.8Confident91.3Very high38 Ų3832.1 Ų32.120%0.20318%0.181CC..EExtended strand (participates in β ladder)trans-94.7118.3166.2175.9-6.8000108.8W273 T685 G686 G687W273-D683 WeakPolarHBondContact CH2-OD2 3.12Å; W273-D683 VanDerWaalsContact CZ3-OD2 3.24Å; W273-D683 WeakPolarHBondContact CZ3-OD2 3.48Å; D683-T685 PolarHBondContact O-N 3.31Å; D683-T685 PolarHBondContact OD1-N 3.21Å; D683-T685 PolarHBondContact OD1-OG1 2.98Å; D683-G686 VanDerWaalsContact CG-N 3.31Å; D683-G686 PolarHBondContact O-N 2.9Å; D683-G686 PolarHBondContact OD1-N 2.81Å; D683-G686 PolarHBondContact OD2-N 2.92Å; D683-G687 WeakPolarHBondContact CB-O 3.27Å; D683-G687 PolarHBondContact N-O 2.98Å; D683-G687 PolarHBondContact O-N 2.97Å
684P76.7Confident91.3Very high70 Ų7032.1 Ų32.146%0.45518%0.181SC..THydrogen-bonded Turntrans-56.5-19.3177.5-27.336.4000115.7G485G485-P684 WeakPolarHBondContact CA-O 3.44Å
685T79.3Confident91.4Very high97 Ų9732.5 Ų32.560%0.59518%0.184SC*.THydrogen-bonded Turntrans-115.1-12.2-177.671.30000114W273 I488 D683W273-T685 VanDerWaalsContact CZ3-OG1 3.28Å; W273-T685 WeakPolarHBondContact CZ3-OG1 3.36Å; I488-T685 WeakPolarHBondContact CD1-O 3.27Å; D683-T685 PolarHBondContact O-N 3.31Å; D683-T685 PolarHBondContact OD1-N 3.21Å; D683-T685 PolarHBondContact OD1-OG1 2.98Å
686G85.4Confident91.4Very high28 Ų2835.8 Ų35.829%0.28920%0.196SC..THydrogen-bonded Turntrans-117.4-11.8-177.400000114.5D683 Q692D683-G686 VanDerWaalsContact CG-N 3.31Å; D683-G686 PolarHBondContact O-N 2.9Å; D683-G686 PolarHBondContact OD1-N 2.81Å; D683-G686 PolarHBondContact OD2-N 2.92Å; G686-Q692 VanDerWaalsContact O-CG 3.25Å; G686-Q692 WeakPolarHBondContact O-CG 3.16Å
687G91.1Very high91.5Very high2 Ų237.7 Ų37.72%0.02120%0.195CC..EExtended strand (participates in β ladder)trans87.3-173.9-170.400000112.5G485 D489 D683G485-G687 WeakPolarHBondContact O-CA 3.44Å; D489-G687 VanDerWaalsContact OD1-CA 3.25Å; D489-G687 WeakPolarHBondContact OD1-CA 3.45Å; D683-G687 WeakPolarHBondContact CB-O 3.27Å; D683-G687 PolarHBondContact N-O 2.98Å; D683-G687 PolarHBondContact O-N 2.97Å
688T93.9Very high91.8Very high1 Ų137 Ų371%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-81.8140.4176.773.60000111.5D489 Q582 Q681 R682 Y690 I691 Q692D489-T688 PolarHBondContact OD1-N 3.38Å; D489-T688 VanDerWaalsContact OD2-CG2 3.23Å; D489-T688 WeakPolarHBondContact OD2-CG2 3.39Å; D489-T688 PolarHBondContact OD2-N 2.91Å; D489-T688 PolarHBondContact OD2-OG1 2.82Å; Q582-T688 HydrophobicContact CG-CG2 3.84Å; Q582-T688 VanDerWaalsContact OE1-CB 3.32Å; Q582-T688 PolarHBondContact OE1-OG1 3.29Å; Q681-T688 WeakPolarHBondContact O-CB 3.13Å; R682-T688 HydrophobicContact CB-CG2 3.81Å; R682-T688 HydrophobicContact CG-CG2 3.75Å; T688-Y690 PolarHBondContact O-N 2.95Å; T688-Y690 VanDerWaalsContact O-N 3.16Å; T688-I691 PolarHBondContact O-N 3.27Å; T688-I691 WeakPolarHBondContact OG1-CB 3.25Å; T688-I691 VanDerWaalsContact OG1-CG1 3.28Å; T688-I691 WeakPolarHBondContact OG1-CG1 3.5Å; T688-I691 PolarHBondContact OG1-N 2.94Å; T688-Q692 WeakPolarHBondContact O-CB 3.16Å; T688-Q692 VanDerWaalsContact O-CG 3.29Å; T688-Q692 WeakPolarHBondContact O-CG 3.39Å; T688-Q692 PolarHBondContact O-N 3.32Å
689V93.5Very high91.9Very high19 Ų1939.5 Ų39.512%0.11520%0.199CC..Hα-helixtrans-57.5-35.4-177.7-64.80000112.2Q681 A693 V718 Y723Q681-V689 HydrophobicContact CB-CG2 4.26Å; V689-A693 WeakPolarHBondContact O-CB 3.47Å; V689-A693 PolarHBondContact O-N 3.11Å; V689-A693 VanDerWaalsContact O-N 3.14Å; V689-V718 HydrophobicContact CG2-CG1 4.09Å; V689-Y723 HydrophobicContact CB-CE1 4.49Å; V689-Y723 WeakPolarHBondContact CB-OH 2.96Å; V689-Y723 HydrophobicContact CG1-CE1 3.6Å; V689-Y723 VanDerWaalsContact CG1-OH 3.31Å; V689-Y723 WeakPolarHBondContact CG1-OH 3.33Å; V689-Y723 WeakPolarHBondContact CG2-OH 3.2Å
690Y97.2Very high92Very high1 Ų140.3 Ų40.30%0.00421%0.211CC..Hα-helixtrans-72.1-50178.1167.9-105.1000112.3S671 A673 T688 A693 L694 V714 P742S671-Y690 WeakPolarHBondContact CB-OH 3.27Å; S671-Y690 PolarHBondContact O-OH 3.21Å; S671-Y690 PolarHBondContact OG-OH 2.8Å; A673-Y690 HydrophobicContact CB-CD1 3.46Å; A673-Y690 VanDerWaalsContact CB-CD1 3.46Å; A673-Y690 HydrophobicContact CB-CD2 4.38Å; A673-Y690 HydrophobicContact CB-CE1 4.1Å; A673-Y690 HydrophobicContact CB-CG 3.62Å; T688-Y690 PolarHBondContact O-N 2.95Å; T688-Y690 VanDerWaalsContact O-N 3.16Å; Y690-A693 PolarHBondContact O-N 2.65Å; Y690-L694 HydrophobicContact CE1-CD2 4.49Å; Y690-L694 VanDerWaalsContact O-CB 3.29Å; Y690-L694 WeakPolarHBondContact O-CB 3.47Å; Y690-L694 PolarHBondContact O-N 3.48Å; Y690-V714 HydrophobicContact CD2-CG1 3.92Å; Y690-V714 HydrophobicContact CE2-CG1 4.09Å; Y690-P742 HydrophobicContact CD2-CB 3.88Å; Y690-P742 HydrophobicContact CD2-CG 3.8Å; Y690-P742 HydrophobicContact CE2-CB 4Å; Y690-P742 HydrophobicContact CE2-CG 4.35Å
691I97.6Very high91.7Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-67.8-40.5-177.8-65.2-62.4000110.9D489 L493 M539 Q582 T688 L694 C695D489-I691 HydrophobicContact CB-CB 4.12Å; D489-I691 HydrophobicContact CB-CG1 4.49Å; D489-I691 HydrophobicContact CB-CG2 3.7Å; L493-I691 HydrophobicContact CD1-CD1 4.29Å; L493-I691 HydrophobicContact CD1-CG2 3.91Å; L493-I691 HydrophobicContact CD2-CD1 4.48Å; L493-I691 HydrophobicContact CD2-CG2 4.06Å; L493-I691 HydrophobicContact CG-CG2 3.72Å; M539-I691 HydrophobicContact SD-CG1 4.26Å; Q582-I691 HydrophobicContact CB-CD1 4.05Å; Q582-I691 HydrophobicContact CB-CG1 3.94Å; Q582-I691 HydrophobicContact CG-CG1 4.06Å; T688-I691 PolarHBondContact O-N 3.27Å; T688-I691 WeakPolarHBondContact OG1-CB 3.25Å; T688-I691 VanDerWaalsContact OG1-CG1 3.28Å; T688-I691 WeakPolarHBondContact OG1-CG1 3.5Å; T688-I691 PolarHBondContact OG1-N 2.94Å; I691-L694 HydrophobicContact CD1-CD2 4.47Å; I691-L694 PolarHBondContact O-N 3.1Å; I691-C695 WeakPolarHBondContact O-CB 3.35Å; I691-C695 PolarHBondContact O-N 2.91Å; I691-C695 PolarHBondContact O-SG 3.33Å
692Q96.5Very high91.8Very high52 Ų5244.2 Ų44.224%0.24323%0.232CC..Hα-helixtrans-64.2-43.6176.9-63.6-54.7-42.900111.8D489 S492 G686 T688 K696D489-Q692 PolarHBondContact OD1-NE2 2.92Å; S492-Q692 PolarHBondContact OG-NE2 3.22Å; S492-Q692 PolarHBondContact OG-OE1 3.45Å; G686-Q692 VanDerWaalsContact O-CG 3.25Å; G686-Q692 WeakPolarHBondContact O-CG 3.16Å; T688-Q692 WeakPolarHBondContact O-CB 3.16Å; T688-Q692 VanDerWaalsContact O-CG 3.29Å; T688-Q692 WeakPolarHBondContact O-CG 3.39Å; T688-Q692 PolarHBondContact O-N 3.32Å; Q692-K696 VanDerWaalsContact O-CB 3.23Å; Q692-K696 WeakPolarHBondContact O-CB 3.48Å; Q692-K696 PolarHBondContact O-N 3.03Å
693A97.1Very high91.6Very high3 Ų347.6 Ų47.63%0.02525%0.251CS..Hα-helixtrans-62.3-43.3174.100000111.5V689 Y690 K696 R697 V714 E717 V718V689-A693 WeakPolarHBondContact O-CB 3.47Å; V689-A693 PolarHBondContact O-N 3.11Å; V689-A693 VanDerWaalsContact O-N 3.14Å; Y690-A693 PolarHBondContact O-N 2.65Å; A693-K696 PolarHBondContact O-N 3.34Å; A693-R697 WeakPolarHBondContact O-CB 3.26Å; A693-R697 WeakPolarHBondContact O-CG 3.37Å; A693-R697 PolarHBondContact O-N 2.76Å; A693-V714 HydrophobicContact CB-CG1 4.02Å; A693-E717 HydrophobicContact CB-CB 4.4Å; A693-E717 HydrophobicContact CB-CG 4.19Å; A693-V718 HydrophobicContact CB-CG2 3.9Å
694L98Very high91.9Very high0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-58.7-54.3176.8177.164.6000111.9F580 Y690 I691 K696 R697 L698 V714F580-L694 HydrophobicContact CB-CD2 4.17Å; F580-L694 HydrophobicContact CD1-CD1 4.23Å; F580-L694 HydrophobicContact CD1-CD2 3.45Å; F580-L694 VanDerWaalsContact CD1-CD2 3.45Å; F580-L694 HydrophobicContact CD1-CG 4.49Å; F580-L694 HydrophobicContact CE1-CD1 3.91Å; F580-L694 HydrophobicContact CE1-CD2 3.93Å; F580-L694 HydrophobicContact CG-CD2 3.81Å; Y690-L694 HydrophobicContact CE1-CD2 4.49Å; Y690-L694 VanDerWaalsContact O-CB 3.29Å; Y690-L694 WeakPolarHBondContact O-CB 3.47Å; Y690-L694 PolarHBondContact O-N 3.48Å; I691-L694 HydrophobicContact CD1-CD2 4.47Å; I691-L694 PolarHBondContact O-N 3.1Å; L694-K696 VanDerWaalsContact C-N 3.31Å; L694-K696 PolarHBondContact O-N 2.94Å; L694-R697 PolarHBondContact O-N 3.09Å; L694-L698 HydrophobicContact CD1-CD1 3.87Å; L694-L698 HydrophobicContact CD1-CG 4.11Å; L694-L698 HydrophobicContact CG-CD1 3.84Å; L694-L698 HydrophobicContact CG-CG 4.47Å; L694-L698 WeakPolarHBondContact O-CB 3.43Å; L694-L698 WeakPolarHBondContact O-CG 3.3Å; L694-L698 PolarHBondContact O-N 3.08Å; L694-V714 HydrophobicContact CB-CG2 4.28Å; L694-V714 HydrophobicContact CD1-CG2 4.22Å
695C98.1Very high92.7Very high9 Ų948.7 Ų48.76%0.06125%0.251CS..Hα-helixtrans-61.2-41.5-178.5-63.20000111.4S492 V496 I691 H699S492-C695 VanDerWaalsContact C-SG 3.6Å; V496-C695 HydrophobicContact CG1-CB 4.22Å; I691-C695 WeakPolarHBondContact O-CB 3.35Å; I691-C695 PolarHBondContact O-N 2.91Å; I691-C695 PolarHBondContact O-SG 3.33Å; C695-H699 VanDerWaalsContact O-CB 3.31Å; C695-H699 WeakPolarHBondContact O-CB 3.37Å; C695-H699 PolarHBondContact O-N 3.49Å
696K97Very high93.4Very high104 Ų10444.5 Ų44.545%0.45223%0.226SC..Hα-helixtrans-62-43.8175.9178.4-177.4170.3-167.10112.2Q692 A693 L694 N700 E717Q692-K696 VanDerWaalsContact O-CB 3.23Å; Q692-K696 WeakPolarHBondContact O-CB 3.48Å; Q692-K696 PolarHBondContact O-N 3.03Å; A693-K696 PolarHBondContact O-N 3.34Å; L694-K696 VanDerWaalsContact C-N 3.31Å; L694-K696 PolarHBondContact O-N 2.94Å; K696-N700 WeakPolarHBondContact O-CB 3.22Å; K696-N700 PolarHBondContact O-N 3.01Å; K696-N700 PolarHBondContact O-ND2 3.28Å; K696-E717 IonicContact NZ-OE1 3.46Å; K696-E717 PolarHBondContact NZ-OE1 3.05Å; K696-E717 IonicContact NZ-OE2 3.21Å
697R96.5Very high94Very high78 Ų7843.2 Ų43.229%0.29421%0.212SC..Hα-helixtrans-70.9-39.9-179.5-69.6-69.2174.5-177.6-3.6112.2A693 L694 G701 I710 A713 V714 E717A693-R697 WeakPolarHBondContact O-CB 3.26Å; A693-R697 WeakPolarHBondContact O-CG 3.37Å; A693-R697 PolarHBondContact O-N 2.76Å; L694-R697 PolarHBondContact O-N 3.09Å; R697-G701 WeakPolarHBondContact O-CA 3.25Å; R697-G701 PolarHBondContact O-N 3.1Å; R697-I710 HydrophobicContact CB-CG2 3.85Å; R697-A713 HydrophobicContact CG-CB 4.41Å; R697-V714 HydrophobicContact CB-CG2 3.82Å; R697-V714 HydrophobicContact CG-CG2 3.75Å; R697-E717 IonicContact CZ-OE2 3.02Å; R697-E717 IonicContact NE-OE2 2.81Å; R697-E717 PolarHBondContact NE-OE2 3.33Å; R697-E717 IonicContact NH2-OE2 3.61Å; R697-E717 PolarHBondContact NH2-OE2 3.01Å
698L96.6Very high94.3Very high1 Ų145.4 Ų45.41%0.00522%0.224CC..Hα-helixtrans-58.9-52.1171.6-77.3170.2000111.1V496 F497 F500 L694 N700 G701 I707 I710 F754V496-L698 HydrophobicContact CG1-CD1 4.25Å; V496-L698 HydrophobicContact CG2-CB 3.62Å; F497-L698 HydrophobicContact CE1-CD1 4.39Å; F497-L698 HydrophobicContact CE2-CD1 4.41Å; F497-L698 HydrophobicContact CZ-CD1 3.92Å; F500-L698 HydrophobicContact CE2-CB 4.13Å; F500-L698 HydrophobicContact CE2-CD2 4.37Å; F500-L698 WeakPolarHBondContact CZ-O 3.45Å; L694-L698 HydrophobicContact CD1-CD1 3.87Å; L694-L698 HydrophobicContact CD1-CG 4.11Å; L694-L698 HydrophobicContact CG-CD1 3.84Å; L694-L698 HydrophobicContact CG-CG 4.47Å; L694-L698 WeakPolarHBondContact O-CB 3.43Å; L694-L698 WeakPolarHBondContact O-CG 3.3Å; L694-L698 PolarHBondContact O-N 3.08Å; L698-N700 PolarHBondContact O-N 3.13Å; L698-G701 PolarHBondContact O-N 3.45Å; L698-I707 HydrophobicContact CD2-CD1 3.83Å; L698-I710 HydrophobicContact CD2-CD1 4.04Å; L698-I710 HydrophobicContact CD2-CG2 4.04Å; L698-I710 HydrophobicContact CG-CG2 4.14Å; L698-F754 HydrophobicContact CD2-CD2 3.78Å; L698-F754 HydrophobicContact CD2-CE2 3.69Å
699H95.3Very high94.4Very high113 Ų11349.5 Ų49.552%0.52325%0.245SC..Hα-helixtrans-60.8-45.2-178-17570.1000112.6V496 C695 G701 K755V496-H699 HydrophobicContact CG2-CB 4.09Å; C695-H699 VanDerWaalsContact O-CB 3.31Å; C695-H699 WeakPolarHBondContact O-CB 3.37Å; C695-H699 PolarHBondContact O-N 3.49Å; H699-G701 VanDerWaalsContact C-N 3.32Å; H699-G701 PolarHBondContact O-N 3.21Å; H699-K755 PolarHBondContact O-NZ 3.36Å
700N93.8Very high94.6Very high107 Ų10749 Ų4957%0.57224%0.242SC*.Hα-helixtrans-85.2-1.1-177.5-64.2-27000114.2K696 L698K696-N700 WeakPolarHBondContact O-CB 3.22Å; K696-N700 PolarHBondContact O-N 3.01Å; K696-N700 PolarHBondContact O-ND2 3.28Å; L698-N700 PolarHBondContact O-N 3.13Å
701G86.9Confident94.6Very high7 Ų749 Ų497%0.07224%0.242CC..  trans-63.9154.5-174.800000113.2R697 L698 H699 E705 K755R697-G701 WeakPolarHBondContact O-CA 3.25Å; R697-G701 PolarHBondContact O-N 3.1Å; L698-G701 PolarHBondContact O-N 3.45Å; H699-G701 VanDerWaalsContact C-N 3.32Å; H699-G701 PolarHBondContact O-N 3.21Å; G701-E705 WeakPolarHBondContact CA-OE2 3.29Å; G701-K755 WeakPolarHBondContact O-CD 3.39Å; G701-K755 WeakPolarHBondContact O-CE 3.46Å; G701-K755 PolarHBondContact O-NZ 3.25Å
702L89.3Confident94.6Very high131 Ų13153.1 Ų53.169%0.68627%0.267SS*.  trans-73.7162.8177.7-55.6173.6000111.5N704 E705L702-N704 PolarHBondContact O-N 2.87Å; L702-N704 VanDerWaalsContact O-N 3.15Å; L702-E705 HydrophobicContact CB-CB 4.12Å; L702-E705 PolarHBondContact N-OE2 3.39Å; L702-E705 PolarHBondContact O-N 3.09Å; L702-E705 VanDerWaalsContact O-N 3.16Å
703Q82.7Confident94.7Very high138 Ų13851 Ų5165%0.64526%0.259SS*.THydrogen-bonded Turntrans-57.7-31.5-173.5-166.3169.5-2.700113.8K755 R756Q703-K755 HydrophobicContact CG-CB 4.48Å; Q703-K755 WeakPolarHBondContact CG-O 3.47Å; Q703-K755 CarbonylContact O-C 3.57Å; Q703-K755 WeakPolarHBondContact O-CB 3.43Å; Q703-R756 PolarHBondContact O-N 3.4Å
704N86.9Confident94.7Very high82 Ų8250.9 Ų50.944%0.43926%0.257SS..THydrogen-bonded Turntrans-119.419.6179.4-66.5-37.8000113.1L702 S706 C753L702-N704 PolarHBondContact O-N 2.87Å; L702-N704 VanDerWaalsContact O-N 3.15Å; N704-S706 PolarHBondContact O-N 2.82Å; N704-C753 PolarHBondContact O-SG 2.78Å; N704-C753 VanDerWaalsContact O-SG 3.35Å
705E93.7Very high94.6Very high50 Ų5052.4 Ų52.423%0.23426%0.264CS..  trans-71.1125.6178.9-162.8173.7179.300110.2G701 L702 D709 I710G701-E705 WeakPolarHBondContact CA-OE2 3.29Å; L702-E705 HydrophobicContact CB-CB 4.12Å; L702-E705 PolarHBondContact N-OE2 3.39Å; L702-E705 PolarHBondContact O-N 3.09Å; L702-E705 VanDerWaalsContact O-N 3.16Å; E705-D709 HydrophobicContact CG-CB 3.93Å; E705-I710 HydrophobicContact CB-CG1 4.39Å; E705-I710 HydrophobicContact CG-CG1 3.88Å
706S95.5Very high94.5Very high8 Ų858.8 Ų58.86%0.05629%0.287CS..  trans-72.8151-178.682.60000111N704 L708 D709 I710 V752N704-S706 PolarHBondContact O-N 2.82Å; S706-L708 PolarHBondContact O-N 3.39Å; S706-L708 VanDerWaalsContact O-N 3.13Å; S706-D709 WeakPolarHBondContact CB-OD2 3.35Å; S706-D709 WeakPolarHBondContact O-CB 3.39Å; S706-D709 PolarHBondContact O-N 3.37Å; S706-D709 PolarHBondContact OG-N 3.37Å; S706-D709 PolarHBondContact OG-OD2 2.86Å; S706-I710 WeakPolarHBondContact O-CG1 3.43Å; S706-I710 PolarHBondContact O-N 3.04Å; S706-V752 CarbonylContact C-O 2.97Å; S706-V752 WeakPolarHBondContact CA-O 3.32Å
707I97.3Very high94.5Very high1 Ų155.5 Ų55.51%0.00527%0.274CS..Hα-helixtrans-57.7-29.7176.6-166.653.9000112.8F580 L669 L698 I710 V711 L748 V752 F754F580-I707 HydrophobicContact CZ-CD1 4.18Å; F580-I707 HydrophobicContact CZ-CG1 4.46Å; L669-I707 HydrophobicContact CD1-CG2 3.91Å; L698-I707 HydrophobicContact CD2-CD1 3.83Å; I707-I710 HydrophobicContact CD1-CB 4.41Å; I707-I710 HydrophobicContact CD1-CG2 4.44Å; I707-V711 HydrophobicContact CD1-CG2 4.48Å; I707-V711 HydrophobicContact CG1-CG2 4.47Å; I707-V711 WeakPolarHBondContact O-CB 3.41Å; I707-V711 VanDerWaalsContact O-CG2 3.24Å; I707-V711 WeakPolarHBondContact O-CG2 3.49Å; I707-V711 PolarHBondContact O-N 3.08Å; I707-L748 HydrophobicContact CG2-CD1 4Å; I707-V752 HydrophobicContact CB-CB 4.27Å; I707-V752 HydrophobicContact CG2-CB 3.77Å; I707-V752 HydrophobicContact CG2-CG2 4.2Å; I707-V752 PolarHBondContact N-O 3.48Å; I707-F754 HydrophobicContact CD1-CE2 3.73Å; I707-F754 HydrophobicContact CD1-CZ 4.43Å; I707-F754 HydrophobicContact CG1-CE2 4.47Å
708L97.3Very high94.4Very high49 Ų4951.8 Ų51.826%0.25726%0.26SS..Hα-helixtrans-71.2-37.9176.8-70.1174.3000111.7L669 S706 V711 T712 V744L669-L708 HydrophobicContact CD1-CD2 3.67Å; L669-L708 HydrophobicContact CD1-CG 4.41Å; S706-L708 PolarHBondContact O-N 3.39Å; S706-L708 VanDerWaalsContact O-N 3.13Å; L708-V711 PolarHBondContact O-N 3.16Å; L708-T712 WeakPolarHBondContact O-CB 3.49Å; L708-T712 PolarHBondContact O-N 3.01Å; L708-T712 PolarHBondContact O-OG1 3.07Å; L708-V744 HydrophobicContact CD2-CG2 4.48Å
709D96.9Very high94.2Very high87 Ų8753.9 Ų53.947%0.46527%0.274SS..Hα-helixtrans-65.9-43.6174.1-61.1-45.4000110.7E705 S706 V711 T712 A713E705-D709 HydrophobicContact CG-CB 3.93Å; S706-D709 WeakPolarHBondContact CB-OD2 3.35Å; S706-D709 WeakPolarHBondContact O-CB 3.39Å; S706-D709 PolarHBondContact O-N 3.37Å; S706-D709 PolarHBondContact OG-N 3.37Å; S706-D709 PolarHBondContact OG-OD2 2.86Å; D709-V711 PolarHBondContact O-N 2.96Å; D709-T712 WeakPolarHBondContact O-CB 3.17Å; D709-T712 PolarHBondContact O-N 3.04Å; D709-A713 PolarHBondContact O-N 3.17Å
710I97.4Very high93.8Very high9 Ų956 Ų565%0.04628%0.282CS..Hα-helixtrans-57.7-52.2174.9-66.5175.4000110.1R697 L698 E705 S706 I707 T712 A713 V714R697-I710 HydrophobicContact CB-CG2 3.85Å; L698-I710 HydrophobicContact CD2-CD1 4.04Å; L698-I710 HydrophobicContact CD2-CG2 4.04Å; L698-I710 HydrophobicContact CG-CG2 4.14Å; E705-I710 HydrophobicContact CB-CG1 4.39Å; E705-I710 HydrophobicContact CG-CG1 3.88Å; S706-I710 WeakPolarHBondContact O-CG1 3.43Å; S706-I710 PolarHBondContact O-N 3.04Å; I707-I710 HydrophobicContact CD1-CB 4.41Å; I707-I710 HydrophobicContact CD1-CG2 4.44Å; I710-T712 VanDerWaalsContact C-N 3.29Å; I710-T712 PolarHBondContact O-N 3.43Å; I710-A713 WeakPolarHBondContact O-CB 3.36Å; I710-A713 PolarHBondContact O-N 2.99Å; I710-A713 VanDerWaalsContact O-N 3.12Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.12Å
711V97.3Very high93.3Very high1 Ų154.3 Ų54.31%0.00627%0.27CS..Hα-helixtrans-63.9-34.7179.6171.20000111.4F580 I707 L708 D709 V714 H715 V744F580-V711 HydrophobicContact CE1-CG2 4.43Å; I707-V711 HydrophobicContact CD1-CG2 4.48Å; I707-V711 HydrophobicContact CG1-CG2 4.47Å; I707-V711 WeakPolarHBondContact O-CB 3.41Å; I707-V711 VanDerWaalsContact O-CG2 3.24Å; I707-V711 WeakPolarHBondContact O-CG2 3.49Å; I707-V711 PolarHBondContact O-N 3.08Å; L708-V711 PolarHBondContact O-N 3.16Å; D709-V711 PolarHBondContact O-N 2.96Å; V711-V714 WeakPolarHBondContact O-CB 3.3Å; V711-V714 PolarHBondContact O-N 3.39Å; V711-H715 WeakPolarHBondContact CG1-NE2 3.31Å; V711-H715 PolarHBondContact O-CD2 3.16Å; V711-H715 VanDerWaalsContact O-CG 3.31Å; V711-H715 PolarHBondContact O-N 3.34Å; V711-V744 HydrophobicContact CG1-CB 3.9Å; V711-V744 HydrophobicContact CG1-CG1 4.29Å; V711-V744 HydrophobicContact CG1-CG2 4.07Å
712T97.5Very high92.7Very high85 Ų8559.3 Ų59.352%0.52130%0.295SS..Hα-helixtrans-64.6-40.7173.1-60.30000111.6L708 D709 I710 V714 H715 R716L708-T712 WeakPolarHBondContact O-CB 3.49Å; L708-T712 PolarHBondContact O-N 3.01Å; L708-T712 PolarHBondContact O-OG1 3.07Å; D709-T712 WeakPolarHBondContact O-CB 3.17Å; D709-T712 PolarHBondContact O-N 3.04Å; I710-T712 VanDerWaalsContact C-N 3.29Å; I710-T712 PolarHBondContact O-N 3.43Å; T712-V714 VanDerWaalsContact C-N 3.32Å; T712-V714 PolarHBondContact O-N 3.42Å; T712-H715 WeakPolarHBondContact O-CB 3.49Å; T712-H715 PolarHBondContact O-N 3.08Å; T712-R716 PolarHBondContact O-N 3.18Å; T712-R716 VanDerWaalsContact O-N 3.1Å
713A97.1Very high91.9Very high8 Ų854.8 Ų54.87%0.06627%0.269CS..Hα-helixtrans-65.5-35.8173.500000112.1R697 D709 I710 R716 E717R697-A713 HydrophobicContact CG-CB 4.41Å; D709-A713 PolarHBondContact O-N 3.17Å; I710-A713 WeakPolarHBondContact O-CB 3.36Å; I710-A713 PolarHBondContact O-N 2.99Å; I710-A713 VanDerWaalsContact O-N 3.12Å; A713-R716 PolarHBondContact O-N 2.88Å; A713-E717 PolarHBondContact O-N 3.11Å; A713-E717 VanDerWaalsContact O-N 3.08Å
714V97.4Very high90.9Very high0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-61.4-47.8171.1174.10000110.6Y690 A693 L694 R697 I710 V711 T712 R716 E717 V718Y690-V714 HydrophobicContact CD2-CG1 3.92Å; Y690-V714 HydrophobicContact CE2-CG1 4.09Å; A693-V714 HydrophobicContact CB-CG1 4.02Å; L694-V714 HydrophobicContact CB-CG2 4.28Å; L694-V714 HydrophobicContact CD1-CG2 4.22Å; R697-V714 HydrophobicContact CB-CG2 3.82Å; R697-V714 HydrophobicContact CG-CG2 3.75Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.12Å; V711-V714 WeakPolarHBondContact O-CB 3.3Å; V711-V714 PolarHBondContact O-N 3.39Å; T712-V714 VanDerWaalsContact C-N 3.32Å; T712-V714 PolarHBondContact O-N 3.42Å; V714-R716 VanDerWaalsContact C-N 3.27Å; V714-R716 PolarHBondContact O-N 3.4Å; V714-E717 PolarHBondContact O-N 3.27Å; V714-V718 HydrophobicContact CG1-CG2 4.04Å; V714-V718 WeakPolarHBondContact O-CG2 3.42Å; V714-V718 PolarHBondContact O-N 2.96Å
715H97.3Very high89.7Confident32 Ų3253.2 Ų53.215%0.14826%0.259CS..Hα-helixtrans-54.6-45.2177.2-68.1-177.9000111.6V711 T712 E717 S719 I741V711-H715 WeakPolarHBondContact CG1-NE2 3.31Å; V711-H715 PolarHBondContact O-CD2 3.16Å; V711-H715 VanDerWaalsContact O-CG 3.31Å; V711-H715 PolarHBondContact O-N 3.34Å; T712-H715 WeakPolarHBondContact O-CB 3.49Å; T712-H715 PolarHBondContact O-N 3.08Å; H715-E717 VanDerWaalsContact C-N 3.31Å; H715-E717 PolarHBondContact O-N 3.35Å; H715-S719 VanDerWaalsContact O-CB 3.26Å; H715-S719 WeakPolarHBondContact O-CB 3.47Å; H715-S719 PolarHBondContact O-N 3.4Å; H715-S719 PolarHBondContact O-OG 3.44Å; H715-I741 HydrophobicContact CB-CD1 4.12Å
716R95.8Very high88Confident144 Ų14454.3 Ų54.354%0.54327%0.269SS..Hα-helixtrans-65-31.5177.7-176.6173.362-172.6-4.6113.3T712 A713 V714 K720T712-R716 PolarHBondContact O-N 3.18Å; T712-R716 VanDerWaalsContact O-N 3.1Å; A713-R716 PolarHBondContact O-N 2.88Å; V714-R716 VanDerWaalsContact C-N 3.27Å; V714-R716 PolarHBondContact O-N 3.4Å; R716-K720 WeakPolarHBondContact O-CD 3.46Å; R716-K720 VanDerWaalsContact O-CG 3.29Å; R716-K720 WeakPolarHBondContact O-CG 3.47Å
717E95.7Very high85.8Confident35 Ų3556 Ų5616%0.16428%0.281CS..Hα-helixtrans-79.4-41.1179.2-175.6158.1172.600112.3A693 K696 R697 A713 V714 H715 Q721A693-E717 HydrophobicContact CB-CB 4.4Å; A693-E717 HydrophobicContact CB-CG 4.19Å; K696-E717 IonicContact NZ-OE1 3.46Å; K696-E717 PolarHBondContact NZ-OE1 3.05Å; K696-E717 IonicContact NZ-OE2 3.21Å; R697-E717 IonicContact CZ-OE2 3.02Å; R697-E717 IonicContact NE-OE2 2.81Å; R697-E717 PolarHBondContact NE-OE2 3.33Å; R697-E717 IonicContact NH2-OE2 3.61Å; R697-E717 PolarHBondContact NH2-OE2 3.01Å; A713-E717 PolarHBondContact O-N 3.11Å; A713-E717 VanDerWaalsContact O-N 3.08Å; V714-E717 PolarHBondContact O-N 3.27Å; H715-E717 VanDerWaalsContact C-N 3.31Å; H715-E717 PolarHBondContact O-N 3.35Å; E717-Q721 PolarHBondContact O-NE2 3.05Å
718V95Very high83.2Confident0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-70.6-39.3179.3-179.60000111.2V689 A693 V714 K720 Q721 Q740 P742V689-V718 HydrophobicContact CG2-CG1 4.09Å; A693-V718 HydrophobicContact CB-CG2 3.9Å; V714-V718 HydrophobicContact CG1-CG2 4.04Å; V714-V718 WeakPolarHBondContact O-CG2 3.42Å; V714-V718 PolarHBondContact O-N 2.96Å; V718-K720 VanDerWaalsContact C-N 3.28Å; V718-K720 PolarHBondContact O-N 3.47Å; V718-Q721 PolarHBondContact O-N 3.24Å; V718-Q740 CarbonylContact C-O 3.56Å; V718-Q740 HydrophobicContact CG1-CB 3.99Å; V718-Q740 HydrophobicContact CG1-CG 3.9Å; V718-Q740 WeakPolarHBondContact CG1-O 3.3Å; V718-P742 HydrophobicContact CB-CG 3.91Å; V718-P742 HydrophobicContact CG1-CG 3.98Å; V718-P742 HydrophobicContact CG2-CG 4.03Å
719S92.1Very high80.4Confident44 Ų4469 Ų6931%0.30834%0.339SS..THydrogen-bonded Turntrans-71.7-16.2-176.867.30000115.5H715 Q721 Q740H715-S719 VanDerWaalsContact O-CB 3.26Å; H715-S719 WeakPolarHBondContact O-CB 3.47Å; H715-S719 PolarHBondContact O-N 3.4Å; H715-S719 PolarHBondContact O-OG 3.44Å; S719-Q721 VanDerWaalsContact C-N 3.35Å; S719-Q740 VanDerWaalsContact CA-O 3.29Å; S719-Q740 WeakPolarHBondContact CA-O 3.44Å; S719-Q740 PolarHBondContact N-O 3.23Å
720K87Confident77.7Confident159 Ų15968.1 Ų68.169%0.69133%0.333SS*.THydrogen-bonded Turntrans-84.7-9.9177.6-74.8179179.7-172.90113.6R716 V718R716-K720 WeakPolarHBondContact O-CD 3.46Å; R716-K720 VanDerWaalsContact O-CG 3.29Å; R716-K720 WeakPolarHBondContact O-CG 3.47Å; V718-K720 VanDerWaalsContact C-N 3.28Å; V718-K720 PolarHBondContact O-N 3.47Å
721Q82.4Confident74.7Confident70 Ų7073.6 Ų73.633%0.32736%0.361SS..  trans-91.9130.9-176.2-68.1178.351.500110.3E717 V718 S719 Y723 L739E717-Q721 PolarHBondContact O-NE2 3.05Å; V718-Q721 PolarHBondContact O-N 3.24Å; S719-Q721 VanDerWaalsContact C-N 3.35Å; Q721-Y723 HydrophobicContact CB-CE1 3.92Å; Q721-Y723 HydrophobicContact CB-CE2 4.02Å; Q721-Y723 VanDerWaalsContact CB-CZ 3.44Å; Q721-Y723 WeakPolarHBondContact CB-OH 3.35Å; Q721-Y723 VanDerWaalsContact O-CE2 3.31Å; Q721-Y723 WeakPolarHBondContact O-CE2 3.44Å; Q721-Y723 PolarHBondContact OE1-OH 3.49Å; Q721-L739 VanDerWaalsContact O-CD2 3.24Å; Q721-L739 WeakPolarHBondContact O-CD2 3.46Å
722L74.5Confident72Confident113 Ų11382.9 Ų82.959%0.59240%0.401SS*.  trans-96.4134.9173.6-72.9162.5000109.5L737 L739L722-L737 HydrophobicContact CD2-CB 4.23Å; L722-L739 HydrophobicContact CD2-CD2 3.52Å; L722-L739 HydrophobicContact CD2-CG 4.2Å; L722-L739 HydrophobicContact CG-CD2 4.09Å
723Y72.4Confident69.1Low35 Ų3583.3 Ų83.314%0.13740%0.404CS..EExtended strand (participates in β ladder)trans-119.3148.7-179.6-51.1-72000110.2Q681 V689 Q721 L737 F738 Q740Q681-Y723 HydrophobicContact CB-CD1 4.5Å; Q681-Y723 HydrophobicContact CG-CD1 4.46Å; Q681-Y723 HydrophobicContact CG-CD2 4.01Å; Q681-Y723 HydrophobicContact CG-CE2 4.41Å; Q681-Y723 HydrophobicContact CG-CG 4.03Å; V689-Y723 HydrophobicContact CB-CE1 4.49Å; V689-Y723 WeakPolarHBondContact CB-OH 2.96Å; V689-Y723 HydrophobicContact CG1-CE1 3.6Å; V689-Y723 VanDerWaalsContact CG1-OH 3.31Å; V689-Y723 WeakPolarHBondContact CG1-OH 3.33Å; V689-Y723 WeakPolarHBondContact CG2-OH 3.2Å; Q721-Y723 HydrophobicContact CB-CE1 3.92Å; Q721-Y723 HydrophobicContact CB-CE2 4.02Å; Q721-Y723 VanDerWaalsContact CB-CZ 3.44Å; Q721-Y723 WeakPolarHBondContact CB-OH 3.35Å; Q721-Y723 VanDerWaalsContact O-CE2 3.31Å; Q721-Y723 WeakPolarHBondContact O-CE2 3.44Å; Q721-Y723 PolarHBondContact OE1-OH 3.49Å; Y723-L737 CarbonylContact O-C 3.59Å; Y723-L737 VanDerWaalsContact O-CA 3.31Å; Y723-L737 WeakPolarHBondContact O-CA 3.23Å; Y723-F738 WeakPolarHBondContact CD2-O 3.32Å; Y723-F738 PolarHBondContact N-O 3.36Å; Y723-F738 PolarHBondContact O-N 2.96Å; Y723-Q740 HydrophobicContact CE2-CB 3.95Å
724Q62.7Low66.7Low116 Ų11691 Ų9154%0.54244%0.443SS..EExtended strand (participates in β ladder)trans-128137.1173.8-166.517433.400108.7G735 L737Q724-G735 PolarHBondContact NE2-O 2.96Å; Q724-L737 HydrophobicContact CB-CD2 4.07Å; Q724-L737 HydrophobicContact CG-CD2 4.45Å
725E62.4Low64.5Low72 Ų7291.7 Ų91.734%0.33645%0.451SS..  trans-71.2133.7174.8-160.6173.6-179.200110.2Y589 S727 F738Y589-E725 WeakPolarHBondContact CE2-OE2 3.37Å; Y589-E725 PolarHBondContact OH-OE1 3.05Å; Y589-E725 PolarHBondContact OH-OE2 3.02Å; Y589-E725 VanDerWaalsContact OH-OE2 3.09Å; E725-S727 WeakPolarHBondContact CG-OG 3.48Å; E725-S727 PolarHBondContact OE1-OG 3.2Å; E725-F738 HydrophobicContact CB-CE2 4.09Å
726T57Low62.7Low72 Ų7295.3 Ų95.344%0.44247%0.467SS..  trans-95.35.1-174.131.30000113.5F728T726-F728 PolarHBondContact O-N 2.82Å
727S50.4Low61.5Low44 Ų4493 Ų9331%0.30847%0.466SS..  trans-63.8122.2179440000110.9E725 Q729 L730E725-S727 WeakPolarHBondContact CG-OG 3.48Å; E725-S727 PolarHBondContact OE1-OG 3.2Å; S727-Q729 PolarHBondContact O-N 2.83Å; S727-L730 PolarHBondContact O-N 3.4Å
728F42.6Very low60.7Low141 Ų14191.8 Ų91.862%0.61846%0.46SS*.THydrogen-bonded Turntrans-57.8-23-171.6-131.7-94.9000113.5T726 L730T726-F728 PolarHBondContact O-N 2.82Å; F728-L730 VanDerWaalsContact C-N 3.33Å; F728-L730 PolarHBondContact O-N 3.18Å
729Q37.4Very low60.3Low182 Ų18293.9 Ų93.985%0.8547%0.471SS*.THydrogen-bonded Turntrans-66.5-28.6177-114.9117.814.200113.8S727S727-Q729 PolarHBondContact O-N 2.83Å
730L40.5Very low60.3Low68 Ų6891.9 Ų91.936%0.35646%0.456SS..THydrogen-bonded Turntrans-95.7-9.2-178.9-95.7105.2000114.6S727 F728 K732 T733S727-L730 PolarHBondContact O-N 3.4Å; F728-L730 VanDerWaalsContact C-N 3.33Å; F728-L730 PolarHBondContact O-N 3.18Å; L730-K732 PolarHBondContact O-N 3.08Å; L730-T733 PolarHBondContact O-N 3.42Å
731M35.4Very low60.7Low125 Ų12587 Ų8762%0.61644%0.438SS*.THydrogen-bonded Turntrans-64.4-11177.4-74.3-160.8-175.800113.8T733M731-T733 VanDerWaalsContact C-N 3.33Å
732K39.1Very low61.5Low196 Ų19683.9 Ų83.985%0.85242%0.423SS*.THydrogen-bonded Turntrans-80.3-9.1174.3-72.5-176.11781760114L730L730-K732 PolarHBondContact O-N 3.08Å
733T37.2Very low62.6Low94 Ų9480.2 Ų80.258%0.57740%0.403SS*.SBendtrans-141.3112.117850.80000109.2L730 M731 G735L730-T733 PolarHBondContact O-N 3.42Å; M731-T733 VanDerWaalsContact C-N 3.33Å; T733-G735 WeakPolarHBondContact O-CA 3.32Å; T733-G735 PolarHBondContact O-N 2.91Å
734N46.2Very low63.8Low168 Ų16880.4 Ų80.490%0.89841%0.408SS*.  trans084.2172.1-69.2-10.3000114.1E736N734-E736 PolarHBondContact O-N 3.21Å
735G51.3Low65.4Low15 Ų1580 Ų8016%0.15540%0.401CS..PPolyproline II helixtrans-56.3124.8-167.500000111.1Q724 T733 L737Q724-G735 PolarHBondContact NE2-O 2.96Å; T733-G735 WeakPolarHBondContact O-CA 3.32Å; T733-G735 PolarHBondContact O-N 2.91Å; G735-L737 PolarHBondContact O-N 2.86Å
736E59.9Low67.1Low108 Ų10881 Ų8151%0.50541%0.406SS..PPolyproline II helixtrans-56134.5-176.5-74.1-169.2145.500110.5N734 F738N734-E736 PolarHBondContact O-N 3.21Å; E736-F738 HydrophobicContact CB-CD1 4.44Å; E736-F738 HydrophobicContact CB-CE1 3.56Å; E736-F738 HydrophobicContact CB-CE2 4.19Å; E736-F738 HydrophobicContact CB-CZ 3.42Å; E736-F738 VanDerWaalsContact CB-CZ 3.42Å; E736-F738 VanDerWaalsContact O-CE2 3.3Å; E736-F738 WeakPolarHBondContact O-CE2 3.14Å
737L69.6Low69.1Low96 Ų9680.7 Ų80.750%0.50340%0.404SS..EExtended strand (participates in β ladder)trans-90.7136.3175-68.7172.2000109.3L722 Y723 Q724 G735L722-L737 HydrophobicContact CD2-CB 4.23Å; Y723-L737 CarbonylContact O-C 3.59Å; Y723-L737 VanDerWaalsContact O-CA 3.31Å; Y723-L737 WeakPolarHBondContact O-CA 3.23Å; Q724-L737 HydrophobicContact CB-CD2 4.07Å; Q724-L737 HydrophobicContact CG-CD2 4.45Å; G735-L737 PolarHBondContact O-N 2.86Å
738F79.4Confident71.4Confident9 Ų979.7 Ų79.74%0.03940%0.395CS..EExtended strand (participates in β ladder)trans-123.6153.1-177.3-49.6-62.5000110.6Y589 Q590 Y723 E725 E736Y589-F738 VanDerWaalsContact CB-CE1 3.42Å; Y589-F738 HydrophobicContact CD1-CB 4.13Å; Y589-F738 HydrophobicContact CD1-CD1 4.17Å; Y589-F738 AromaticContact CD1-CD2 3.57Å; Y589-F738 HydrophobicContact CD1-CD2 3.57Å; Y589-F738 HydrophobicContact CD1-CE1 4.44Å; Y589-F738 AromaticContact CD1-CE2 3.9Å; Y589-F738 HydrophobicContact CD1-CE2 3.9Å; Y589-F738 AromaticContact CD1-CG 3.68Å; Y589-F738 HydrophobicContact CD1-CG 3.68Å; Y589-F738 HydrophobicContact CD1-CZ 4.3Å; Y589-F738 HydrophobicContact CD2-CD1 4.45Å; Y589-F738 HydrophobicContact CD2-CD2 4.49Å; Y589-F738 AromaticContact CD2-CE1 3.98Å; Y589-F738 HydrophobicContact CD2-CE1 3.98Å; Y589-F738 HydrophobicContact CD2-CE2 4.05Å; Y589-F738 AromaticContact CD2-CZ 3.75Å; Y589-F738 HydrophobicContact CD2-CZ 3.75Å; Y589-F738 HydrophobicContact CE1-CD2 4.03Å; Y589-F738 HydrophobicContact CE1-CE2 4.14Å; Y589-F738 HydrophobicContact CE2-CE2 4.27Å; Y589-F738 HydrophobicContact CE2-CZ 4.25Å; Y589-F738 HydrophobicContact CG-CB 4.47Å; Y589-F738 AromaticContact CG-CD1 3.73Å; Y589-F738 HydrophobicContact CG-CD1 3.73Å; Y589-F738 AromaticContact CG-CD2 3.85Å; Y589-F738 HydrophobicContact CG-CD2 3.85Å; Y589-F738 AromaticContact CG-CE1 3.72Å; Y589-F738 HydrophobicContact CG-CE1 3.72Å; Y589-F738 AromaticContact CG-CE2 3.87Å; Y589-F738 HydrophobicContact CG-CE2 3.87Å; Y589-F738 AromaticContact CG-CG 3.74Å; Y589-F738 HydrophobicContact CG-CG 3.74Å; Y589-F738 AromaticContact CG-CZ 3.78Å; Y589-F738 HydrophobicContact CG-CZ 3.78Å; Q590-F738 WeakPolarHBondContact O-CA 3.23Å; Y723-F738 WeakPolarHBondContact CD2-O 3.32Å; Y723-F738 PolarHBondContact N-O 3.36Å; Y723-F738 PolarHBondContact O-N 2.96Å; E725-F738 HydrophobicContact CB-CE2 4.09Å; E736-F738 HydrophobicContact CB-CD1 4.44Å; E736-F738 HydrophobicContact CB-CE1 3.56Å; E736-F738 HydrophobicContact CB-CE2 4.19Å; E736-F738 HydrophobicContact CB-CZ 3.42Å; E736-F738 VanDerWaalsContact CB-CZ 3.42Å; E736-F738 VanDerWaalsContact O-CE2 3.3Å; E736-F738 WeakPolarHBondContact O-CE2 3.14Å
739L86.6Confident73.9Confident45 Ų4577.4 Ų77.424%0.23639%0.393CS..BIsolated β-bridgetrans-112.3175.6174.4-66.8174000110Q590 G592 Q721 L722Q590-L739 WeakPolarHBondContact CB-O 3.38Å; Q590-L739 PolarHBondContact O-N 3.45Å; G592-L739 VanDerWaalsContact CA-CD1 3.49Å; Q721-L739 VanDerWaalsContact O-CD2 3.24Å; Q721-L739 WeakPolarHBondContact O-CD2 3.46Å; L722-L739 HydrophobicContact CD2-CD2 3.52Å; L722-L739 HydrophobicContact CD2-CG 4.2Å; L722-L739 HydrophobicContact CG-CD2 4.09Å
740Q93.1Very high76.7Confident1 Ų172.7 Ų72.71%0.00537%0.369CS..  trans-144127.7170-178.9178.1-31.900109.4A673 Q681 V718 S719 Y723A673-Q740 PolarHBondContact O-NE2 2.89Å; Q681-Q740 VanDerWaalsContact CB-OE1 3.28Å; V718-Q740 CarbonylContact C-O 3.56Å; V718-Q740 HydrophobicContact CG1-CB 3.99Å; V718-Q740 HydrophobicContact CG1-CG 3.9Å; V718-Q740 WeakPolarHBondContact CG1-O 3.3Å; S719-Q740 VanDerWaalsContact CA-O 3.29Å; S719-Q740 WeakPolarHBondContact CA-O 3.44Å; S719-Q740 PolarHBondContact N-O 3.23Å; Y723-Q740 HydrophobicContact CE2-CB 3.95Å
741I95.7Very high79.4Confident58 Ų5874 Ų7430%0.29737%0.372SS..  trans-113.1125.2164-16569.5000109.8Q590 T674 V675 H715Q590-I741 VanDerWaalsContact OE1-CG2 3.26Å; T674-I741 CarbonylContact C-O 3.54Å; T674-I741 VanDerWaalsContact CA-O 3.32Å; T674-I741 WeakPolarHBondContact CA-O 3.46Å; V675-I741 HydrophobicContact CB-CG2 4.38Å; V675-I741 HydrophobicContact CG1-CG2 3.67Å; V675-I741 HydrophobicContact CG2-CG2 3.77Å; V675-I741 PolarHBondContact N-O 3.4Å; V675-I741 VanDerWaalsContact N-O 3.07Å; H715-I741 HydrophobicContact CB-CD1 4.12Å
742P97.6Very high82.3Confident3 Ų368.1 Ų68.12%0.01934%0.343CS..  trans-68.7165168.1-13.128000111.9Y672 A673 Y690 V718Y672-P742 WeakPolarHBondContact O-CA 3.38Å; Y672-P742 WeakPolarHBondContact O-CB 3.34Å; A673-P742 WeakPolarHBondContact O-CA 3.41Å; Y690-P742 HydrophobicContact CD2-CB 3.88Å; Y690-P742 HydrophobicContact CD2-CG 3.8Å; Y690-P742 HydrophobicContact CE2-CB 4Å; Y690-P742 HydrophobicContact CE2-CG 4.35Å; V718-P742 HydrophobicContact CB-CG 3.91Å; V718-P742 HydrophobicContact CG1-CG 3.98Å; V718-P742 HydrophobicContact CG2-CG 4.03Å
743E97.5Very high85Confident36 Ų3658.9 Ų58.917%0.16830%0.303CS..EExtended strand (participates in β ladder)trans-127.6136.1178.4-173.4-174.3160.100109.8R585 Y672 V675 A676 R745R585-E743 IonicContact CZ-OE2 2.75Å; R585-E743 IonicContact NH1-OE2 2.76Å; R585-E743 PolarHBondContact NH1-OE2 2.85Å; Y672-E743 PolarHBondContact N-O 3.19Å; Y672-E743 PolarHBondContact O-N 3.36Å; V675-E743 HydrophobicContact CG1-CB 3.94Å; V675-E743 HydrophobicContact CG1-CG 4.41Å; A676-E743 PolarHBondContact N-OE2 3.43Å; E743-R745 IonicContact OE1-CZ 2.85Å; E743-R745 VanDerWaalsContact OE1-CZ 3.23Å; E743-R745 IonicContact OE1-NE 3.92Å; E743-R745 PolarHBondContact OE1-NE 3.44Å; E743-R745 IonicContact OE1-NH2 2.78Å; E743-R745 PolarHBondContact OE1-NH2 3.05Å; E743-R745 IonicContact OE2-NH2 3.22Å
744V97.8Very high87.7Confident40 Ų4054.9 Ų54.924%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-118.6135.8172.270.60000110.1L669 L670 L708 V711L669-V744 HydrophobicContact CD1-CG2 4.15Å; L669-V744 HydrophobicContact CD2-CG2 4.17Å; L669-V744 HydrophobicContact CG-CG2 3.95Å; L670-V744 WeakPolarHBondContact O-CA 3.49Å; L708-V744 HydrophobicContact CD2-CG2 4.48Å; V711-V744 HydrophobicContact CG1-CB 3.9Å; V711-V744 HydrophobicContact CG1-CG1 4.29Å; V711-V744 HydrophobicContact CG1-CG2 4.07Å
745R97.6Very high89.6Confident108 Ų10850.5 Ų50.541%0.40825%0.251SS..EExtended strand (participates in β ladder)trans-125.5137.6169.8-61.1-175-174.3-177-0.6108.2L669 L670 E743L669-R745 CarbonylContact C-O 3.57Å; L669-R745 WeakPolarHBondContact CA-O 3.28Å; L670-R745 PolarHBondContact N-O 3.01Å; L670-R745 PolarHBondContact O-N 2.85Å; E743-R745 IonicContact OE1-CZ 2.85Å; E743-R745 VanDerWaalsContact OE1-CZ 3.23Å; E743-R745 IonicContact OE1-NE 3.92Å; E743-R745 PolarHBondContact OE1-NE 3.44Å; E743-R745 IonicContact OE1-NH2 2.78Å; E743-R745 PolarHBondContact OE1-NH2 3.05Å; E743-R745 IonicContact OE2-NH2 3.22Å
746H98Very high91Very high93 Ų9352.6 Ų52.643%0.43125%0.254SS..EExtended strand (participates in β ladder)trans-149.7155.3178.870.691000113.4F668 L669 L748F668-H746 CarbonylContact O-C 3.57Å; F668-H746 WeakPolarHBondContact O-CA 3.31Å; F668-H746 WeakPolarHBondContact O-CB 3.34Å; L669-H746 HydrophobicContact CB-CB 4.1Å; L669-H746 HydrophobicContact CD1-CB 4.34Å; L669-H746 HydrophobicContact CG-CB 4.19Å; H746-L748 HydrophobicContact CB-CG 4.17Å
747T98.1Very high92.5Very high65 Ų6549.9 Ų49.940%0.39924%0.242SC..  trans-124.921.2168.4560000110.5Y665 D667 F668 T749Y665-T747 WeakPolarHBondContact O-CB 3.13Å; Y665-T747 PolarHBondContact O-OG1 3.42Å; D667-T747 PolarHBondContact N-O 2.89Å; F668-T747 PolarHBondContact N-OG1 3.4Å; F668-T747 PolarHBondContact O-N 3.16Å; T747-T749 PolarHBondContact O-N 2.92Å
748L97.9Very high93.8Very high23 Ų2347.4 Ų47.412%0.1223%0.228CC..  trans-53.4134.2170.1-63.6179.5000110.3Y457 P576 L578 F668 L669 I707 H746 V752Y457-L748 HydrophobicContact CE2-CB 4.43Å; Y457-L748 HydrophobicContact CE2-CD2 4.11Å; P576-L748 HydrophobicContact CB-CD2 4.25Å; L578-L748 HydrophobicContact CD2-CD2 4.26Å; F668-L748 PolarHBondContact O-N 2.92Å; L669-L748 HydrophobicContact CB-CD1 4.07Å; L669-L748 HydrophobicContact CB-CD2 4.37Å; L669-L748 HydrophobicContact CB-CG 4.15Å; L669-L748 HydrophobicContact CD1-CD1 3.65Å; I707-L748 HydrophobicContact CG2-CD1 4Å; H746-L748 HydrophobicContact CB-CG 4.17Å; L748-V752 HydrophobicContact CD1-CG2 4.07Å; L748-V752 HydrophobicContact CD2-CG2 4.17Å
749T96.2Very high94.5Very high93 Ų9349.6 Ų49.657%0.57124%0.238SC*.SBendtrans-101.6-14.1179.657.30000112.5Y457 D667 T747Y457-T749 PolarHBondContact OH-N 3.47Å; Y457-T749 PolarHBondContact OH-OG1 3.27Å; D667-T749 PolarHBondContact OD1-OG1 3.01Å; T747-T749 PolarHBondContact O-N 2.92Å
750K96.3Very high95Very high83 Ų8349.8 Ų49.836%0.36124%0.238SC..SBendtrans-140.8171.1178.6-54.5-175.9177.1-165.80111.3E454 D455 Y456 Y457E454-K750 VanDerWaalsContact O-CD 3.25Å; E454-K750 WeakPolarHBondContact O-CD 3.23Å; E454-K750 VanDerWaalsContact O-CE 3.23Å; E454-K750 WeakPolarHBondContact O-CE 3.43Å; D455-K750 WeakPolarHBondContact O-CB 3.34Å; Y456-K750 WeakPolarHBondContact O-CD 3.4Å; Y457-K750 HydrophobicContact CD1-CB 4.29Å; Y457-K750 HydrophobicContact CD1-CD 4.31Å; Y457-K750 HydrophobicContact CD2-CB 3.55Å; Y457-K750 HydrophobicContact CE1-CB 4.29Å; Y457-K750 HydrophobicContact CE1-CG 4.44Å; Y457-K750 HydrophobicContact CE2-CB 3.59Å; Y457-K750 WeakPolarHBondContact CE2-O 3.47Å; Y457-K750 HydrophobicContact CG-CB 3.94Å
751K96.8Very high95.1Very high95 Ų9552.9 Ų52.941%0.41325%0.253SS..BIsolated β-bridgetrans-77132.7173.9-67.3176.5-177.5171.40110.4D455 Y456 Y457D455-K751 WeakPolarHBondContact O-CB 3.44Å; D455-K751 PolarHBondContact O-N 3.36Å; Y456-K751 WeakPolarHBondContact CA-O 3.18Å; Y456-K751 HydrophobicContact CD1-CB 3.59Å; Y456-K751 HydrophobicContact CD1-CD 4.29Å; Y456-K751 HydrophobicContact CE1-CB 3.79Å; Y456-K751 HydrophobicContact CE1-CD 3.68Å; Y456-K751 HydrophobicContact CE1-CG 4.39Å; Y456-K751 HydrophobicContact CG-CB 4.34Å; Y457-K751 PolarHBondContact N-O 3.27Å
752V96.6Very high95.1Very high1 Ų152.5 Ų52.51%0.00625%0.25CS..  trans-102.2118.2173.3-173.70000108.4Y457 M459 P576 L578 S706 I707 L748 F754Y457-V752 HydrophobicContact CD2-CB 4.45Å; Y457-V752 HydrophobicContact CD2-CG2 3.43Å; Y457-V752 VanDerWaalsContact CD2-CG2 3.43Å; Y457-V752 HydrophobicContact CE2-CG2 3.74Å; Y457-V752 HydrophobicContact CG-CG2 4.43Å; M459-V752 HydrophobicContact CE-CG1 4.32Å; M459-V752 HydrophobicContact SD-CG1 4.13Å; P576-V752 HydrophobicContact CB-CG2 3.77Å; P576-V752 HydrophobicContact CG-CG1 4.34Å; P576-V752 HydrophobicContact CG-CG2 3.59Å; L578-V752 HydrophobicContact CD1-CG1 4.38Å; S706-V752 CarbonylContact C-O 2.97Å; S706-V752 WeakPolarHBondContact CA-O 3.32Å; I707-V752 HydrophobicContact CB-CB 4.27Å; I707-V752 HydrophobicContact CG2-CB 3.77Å; I707-V752 HydrophobicContact CG2-CG2 4.2Å; I707-V752 PolarHBondContact N-O 3.48Å; L748-V752 HydrophobicContact CD1-CG2 4.07Å; L748-V752 HydrophobicContact CD2-CG2 4.17Å; V752-F754 HydrophobicContact CG1-CD1 4.48Å; V752-F754 HydrophobicContact CG1-CE1 4.11Å
753C95.6Very high94.9Very high2 Ų256.1 Ų56.11%0.01427%0.267CS..  trans-125.1119177.1-59.30000108.8M459 N704 R756M459-C753 WeakPolarHBondContact CB-O 2.9Å; N704-C753 PolarHBondContact O-SG 2.78Å; N704-C753 VanDerWaalsContact O-SG 3.35Å; C753-R756 HydrophobicContact CB-CB 4.24Å
754F92.9Very high94.7Very high11 Ų1157.6 Ų57.65%0.04827%0.274CS..THydrogen-bonded Turntrans-80.2-22-175.1-65.9-53.1000114.7M459 F497 F500 F502 L578 L698 I707 V752M459-F754 HydrophobicContact CE-CD1 3.59Å; M459-F754 HydrophobicContact CE-CE1 3.99Å; F497-F754 HydrophobicContact CE1-CE2 4.35Å; F497-F754 HydrophobicContact CE1-CZ 4.34Å; F500-F754 HydrophobicContact CD1-CB 4.21Å; F500-F754 HydrophobicContact CD2-CB 4.07Å; F500-F754 HydrophobicContact CD2-CD2 4.27Å; F500-F754 HydrophobicContact CD2-CG 4.29Å; F500-F754 HydrophobicContact CE1-CB 4.44Å; F500-F754 HydrophobicContact CE2-CB 4.27Å; F500-F754 HydrophobicContact CE2-CD2 4.21Å; F500-F754 HydrophobicContact CG-CB 4.03Å; F500-F754 HydrophobicContact CZ-CB 4.46Å; F502-F754 HydrophobicContact CE2-CD1 4Å; F502-F754 HydrophobicContact CE2-CE1 4.07Å; F502-F754 AromaticContact CZ-CD1 3.98Å; F502-F754 HydrophobicContact CZ-CD1 3.98Å; F502-F754 AromaticContact CZ-CE1 3.67Å; F502-F754 HydrophobicContact CZ-CE1 3.67Å; F502-F754 HydrophobicContact CZ-CZ 4.45Å; L578-F754 HydrophobicContact CD1-CE1 3.92Å; L578-F754 HydrophobicContact CD1-CZ 3.45Å; L578-F754 VanDerWaalsContact CD1-CZ 3.45Å; L698-F754 HydrophobicContact CD2-CD2 3.78Å; L698-F754 HydrophobicContact CD2-CE2 3.69Å; I707-F754 HydrophobicContact CD1-CE2 3.73Å; I707-F754 HydrophobicContact CD1-CZ 4.43Å; I707-F754 HydrophobicContact CG1-CE2 4.47Å; V752-F754 HydrophobicContact CG1-CD1 4.48Å; V752-F754 HydrophobicContact CG1-CE1 4.11Å
755K88Confident94.5Very high75 Ų7559.1 Ų59.133%0.32628%0.277SS..THydrogen-bonded Turntrans-98.32.5-175.5-71.4-173.5178.6-175.50113.9F500 H699 G701 Q703F500-K755 HydrophobicContact CD1-CG 4.26Å; F500-K755 HydrophobicContact CE1-CD 4.22Å; F500-K755 HydrophobicContact CE1-CG 3.58Å; F500-K755 HydrophobicContact CZ-CG 4.35Å; H699-K755 PolarHBondContact O-NZ 3.36Å; G701-K755 WeakPolarHBondContact O-CD 3.39Å; G701-K755 WeakPolarHBondContact O-CE 3.46Å; G701-K755 PolarHBondContact O-NZ 3.25Å; Q703-K755 HydrophobicContact CG-CB 4.48Å; Q703-K755 WeakPolarHBondContact CG-O 3.47Å; Q703-K755 CarbonylContact O-C 3.57Å; Q703-K755 WeakPolarHBondContact O-CB 3.43Å
756R79.5Confident94.2Very high60 Ų6054.6 Ų54.623%0.22627%0.265CS..  trans-77.60167.7-170.9171.2165.4133.4-24.2108E450 D451 Q703 C753E450-R756 PolarHBondContact O-NH2 3.5Å; D451-R756 PolarHBondContact O-NH2 3.43Å; D451-R756 IonicContact OD1-CZ 3.45Å; D451-R756 IonicContact OD1-NE 2.74Å; D451-R756 PolarHBondContact OD1-NE 2.96Å; D451-R756 IonicContact OD1-NH2 3.44Å; D451-R756 PolarHBondContact OD1-NH2 3.42Å; Q703-R756 PolarHBondContact O-N 3.4Å; C753-R756 HydrophobicContact CB-CB 4.24Å

Retrieved 756 of 756 residues in 1151.3 ms (Link to these results)

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